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N-(2,5-Dichlorophenyl)maleamic acidemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
The asymmetric unit of the title compound, C10H7Cl2NO3, contains two independent molecules. The molecular conformation of each maleamic unit is stabilized by an intramolecular O—H...Ocarbonyl hydrogen bond owing to the anti disposition of the participating entities. The mean planes through the benzene ring and the amido group are inclined at angles of 45.7 (1) and 40.8 (1)° in the two molecules. In the crystal, the independent molecules self-associate via N—H...O hydrogen bonds into zigzag ribbons propagating along the a axis. The ribbons are weakly coupled by C—H...π and C—H...O interactions. (Source: Acta C...
Source: Acta Crystallographica Section E - November 18, 2009 Category: Chemistry Authors: Shakuntala, K.Gowda, B.T.Tokarčík, M.Kožíšek, J. Tags: organic compounds Source Type: journals

N′-[(2E)-3-Phenylprop-2-enoyl]benzohydrazideemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
In the title compound, C16H14N2O2, the conformation about the C=C bond is E, and the two amide groups are effectively orthogonal [the C—N—N—C torsion angle is 104.5 (2)°]. In the crystal structure, the amide groups groups associate via N–H...O hydrogen bonding, forming supramolecular tapes with undulating topology along the c-axis direction. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 18, 2009 Category: Chemistry Authors: Carvalho, S.A.Silva, E.F. daTiekink, E.R.T.Wardell, J.L.Wardell, S.M.S.V. Tags: organic compounds Source Type: journals

3-(4-Methoxyphenyl)-1-(2-nitrophenyl)prop-2-en-1-oneemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
The title compound, C16H13NO4, was prepared from 2-nitrylhypnone [systematic name: 1-(2-nitrophenyl)ethanone] and 4-methoxybenzophenone by a Claisen–Schmidt condensation. The dihedral angle formed by the two benzene rings is 80.73 (2). The crystal packing is stabilized by intermolecular C—H...O hydrogen bonds. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 18, 2009 Category: Chemistry Authors: Guo, H.-M.Liu, L.-Q.Yang, J.Jian, F.-F. Tags: organic compounds Source Type: journals

(E)-1-Methyl-4-[2-(1-naphthyl)vinyl]pyridinium 4-chlorobenzenesulfonateThis paper is dedicated to the late His Royal Highness King Chulalongkorn (King Rama V) of Thailand for his numerous reforms to modernize the country on the occasion of Chulalongkorn Day (Piyamaharaj Day) which fell on the 23rd October.email this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
In the title compound, C18H16N+·C6H4ClO3S−, the cation exists in an E configuration with respect to the central C=C bond. The naphthalene ring system is slightly bent, the dihedral angle between the two aromatic rings being 3.71 (14)°. The whole cation is twisted, the dihedral angles between the pyridinium and the two aromatic rings of the naphthalene ring system being 47.44 (14) and 50.81 (14)°. The pyridinium ring and the benzene ring of the anion are inclined to each other at a dihedral angle of 68.21 (13)°. In the crystal structure, the cations and anions are arranged alternately with the cations stacked ...
Source: Acta Crystallographica Section E - November 18, 2009 Category: Chemistry Authors: Chantrapromma, S.Chanawanno, K.Fun, H.-K. Tags: organic compounds Source Type: journals

3-(1-Methylpyrrolidin-2-ylidene)-3H-indole sesquihydrateemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
The asymmetric unit of the title compound, C13H14N2·1.5H2O, contains two similar molecules of 3-(1-methylpyrrolidin-2-ylidene)-3H-indole, (I), and three water molecules. (I) is the product of reacting indole with 1-methylpyrrolidin-2-one in the presence of phosphorus oxychloride. Both organic molecules are almost completely planar; the maximum distances above and below the least-squares plane through all the atoms of molecule 1 are 0.050 (8) and −0.045 (8) Å, respectively, and the deviations for molecule 2 are 0.096 (8) and −0.059 (8) Å, respectively. In the crystal, the two crystallographically differen...
Source: Acta Crystallographica Section E - November 18, 2009 Category: Chemistry Authors: Helliwell, M.Aghazadeh, M.Baradarani, M.M.Joule, J.A. Tags: organic compounds Source Type: journals

N′-[(E)-2-Hydroxybenzylidene]-5-methylisoxazole-4-carbohydrazide monohydrateemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
In the structure of the title compound, C12H11N3O3·H2O, the dihedral angle formed by the benzene and isoxazole rings is 2.03 (8)°. The molecular conformation is stabilized by an intramolecular O—H...N hydrogen bond. In the crystal structure, molecules are linked into a three-dimesional network by intermolecular N—H...O, O—H...N and O—H...O hydrogen bonds, and by π–π stacking interactions involving adjacent benzene and isoxazole rings [centroid–centroid separation = 3.663 (2) Å]. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 18, 2009 Category: Chemistry Authors: Jin, Y.-X.Yan, Z.-Z.Yang, J.-G.Zhong, A.-G.Pan, F.-Y. Tags: organic compounds Source Type: journals

10-Formyl-2,4,6,8,12-pentanitro-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.03,11.05,9]dodecaneemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
The title compound, C7H7N11O11 (PNMFIW), is a caged heterocycle substituted with five nitro and one formyl groups. It is related to the hexaazaisowurtzitane family of high-density high-energy polycyclic cage compounds. Four nitro groups are appended to the four N atoms of the two five-membered rings, while a nitro group and a formyl are attached to the two N atoms of the six-membered ring. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 18, 2009 Category: Chemistry Authors: Jin, S.Chen, S.Chen, H.Li, L.Shi, Y. Tags: organic compounds Source Type: journals

3-(2-Amino-1,3-thiazol-4-yl)-6-chloro-2H-chromen-2-oneemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
The title compound, C12H7ClN2O2S, crystallizes with two molecules in the asymmetric unit. The molecular conformation is roughly planar for both these molecules with maximum deviations of 0.177 (3) and 0.076 (4) Å from their respective mean planes. In the crystal, strong N—H...N and weak but highly directional C—H...O hydrogen bonds provide the links between the molecules. The structure is further stabilised by aromatic π–π stacking interactions with centroid–centroid distances in the range 3.650 (3)–3.960 (3) Å. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 18, 2009 Category: Chemistry Authors: Chopra, D.Choudhury, A.R.Venugopala, K.N.Govender, T.Kruger, H.G.Maguire, G.E.M.Guru Row, T.N. Tags: organic compounds Source Type: journals

(Z)-2-Acetamido-3-(4-chlorophenyl)acrylic acidemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
In the title compound, C11H10ClNO3, the molecule consists of a benzene ring and an acetamidoacrylic acid unit on opposite sides of the C=C double bond. In the crystal, intermolecular O—H...O and N—H...O hydrogen bonds assemble the molecules into infinite two-dimensional ribbons. These ribbons are linked into a network by intermolecular C—H...π contacts. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 18, 2009 Category: Chemistry Authors: Tian, Q.-J.Ouyang, H.Tian, C.-L.Jiang, Y.-D. Tags: organic compounds Source Type: journals

N-Benzyl-N-cyclohexyl-4-methylbenzenesulfonamideemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
In the title compound, C20H25NO2S, the cyclohexyl ring exists in a chair form and the mean plane through all six atoms makes dihedral angles of 56.12 (9) and 55.19 (10)° with the benzene and phenyl rings, respectively. The dihedral angle between the two aromatic rings is 77.23 (7)°. A weak intramolecular C—H...O interaction occurs. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 18, 2009 Category: Chemistry Authors: Khan, I.U.Haider, Z.Zia-ur-Rehman, M.Shafiq, M.Arshad, M.N. Tags: organic compounds Source Type: journals

5-(2,6-Difluorophenyl)-1,3,4-thiadiazol-2-amineemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
The title compound, C8H5F2N3S, was synthesized by the reaction of 2,6-difluorobenzoic acid and thiosemicarbazide. The dihedral angle between the thiadiazole and phenyl ring is 35.19 (14)°. In the crystal structure, intermolecular N—H...N hydrogen bonds form chains along the b and c axes. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 18, 2009 Category: Chemistry Authors: Wang, Y.Wan, R.Han, F.Wang, P. Tags: organic compounds Source Type: journals

A second monoclinic polymorph of N-cyclohexyl-N-ethylbenzenesulfonamideemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
The crystal structure of the title compound, C14H21NO2S, is a polymorph of the structure reported by Khan et al. [Acta Cryst. (2009), E65, o2867] which is also monoclinic (space group P21/c). The unit cell in the title structure is approximately half the volume of the previously reported polymorph and the asymmetric unit of the title compound contains one molecule rather than two independent molecules in the other polymorph. In the title molecule, the cyclohexane ring is in the typical chair form. In the crystal structure, molecules are linked via weak intermolecular C—H...O interactions, forming a chain along the b-axis...
Source: Acta Crystallographica Section E - November 18, 2009 Category: Chemistry Authors: Haider, Z.Arshad, M.N.Zia-ur-Rehman, M.Khan, I.U.Shafiq, M. Tags: organic compounds Source Type: journals

3,9-Dimethyl-2,3-dihydrophenanthro[1,2-b]furan-4,5-dioneemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
The title compound, C18H14O3, consists of a four-ring system which contains three six-membered rings forming a phenanthrenedione system and a five-membered 1,2-dihydromethylfuran ring. A three-dimensional supramolecular framework is formed via non-classical intermolecular C—H...O hydrogen bonds. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 18, 2009 Category: Chemistry Authors: Yao, J.-C.Wang, Z.-D.Guo, J.-B.Zhang, L. Tags: organic compounds Source Type: journals

2-(4H-1,3-Benzoxazin-2-yl)phenolemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
The title compound, C14H11NO2, features an essentially planar molecule, the r.m.s. deviation for the 17 non-H atoms being 0.035 Å. This conformation is stabilized by an intramolecular O—H...N hydrogen bond that results in the formation of an S(6) ring. In the crystal structure, methylene–hydroxy C—H...O contacts result in a supramolecular chain aligned along the b axis. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 18, 2009 Category: Chemistry Authors: Fernandes, C.Horn Jr, A.Howie, R.A.Schripsma, J.Wardell, J.L.Tiekink, E.R.T. Tags: organic compounds Source Type: journals

1-Methyl-2,4-bis(2-methoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-oneemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
The crystal structure of the title compound, C23H27NO3, shows that the compound exists in a chair–chair conformation with an equatorial disposition of 2-methoxyphenyl groups at an angle of 39.94 (3)° with respect to each other. An intermolecular N—H...π interaction is observed in the crystal packing. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 18, 2009 Category: Chemistry Authors: Parthiban, P.Ramkumar, V.Jeong, Y.T. Tags: organic compounds Source Type: journals

N-Cyclohexyl-N-(prop-2-en-1-yl)benzenesulfonamideemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
The title compound, C15H21NO2S, synthesized by N-alkylation of cyclohexylamine benzenesulfonamide with allyl iodide, is of interest as a precursor to biologically active sulfur-containing heterocyclic compounds. The cyclohexane ring is in a chair form and its mean plane makes a dihedral angle of 53.84 (12)° with the phenyl ring. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 18, 2009 Category: Chemistry Authors: Khan, I.U.Haider, Z.Zia-ur-Rehman, M.Arshad, M.N.Shafiq, M. Tags: organic compounds Source Type: journals

Carbonyl[4-(2,6-dimethylphenylamino)pent-3-en-2-onato-κ2N,O](triphenylphosphine-κP)rhodium(I) acetone hemisolvateemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
In the title compound, [Rh(C13H16NO)(C18H15P)(CO)]·0.5C3H6O, the Rh atom exhibits a square-planar coordination geometry, being coordinated by the N and O atoms of the bidentate β-diketonato ligand, a P atom from the triphenylphosphine unit and a C atom from the carbonyl group. The asymmetric unit also contains a disordered half-molecule, lying about an inversion center, of the acetone solvate. Intermolecular C—H...O hydrogen bonds are observed between a C—H group of the triphenylphosphine unit and a carbonyl O atom and between the methyl group of the enaminoketonato backbone and the solvent O atom. In addition, an in...
Source: Acta Crystallographica Section E - November 18, 2009 Category: Chemistry Authors: Venter, G.J.S.Steyl, G.Roodt, A. Tags: metal-organic compounds Source Type: journals

Aqua(2,2′-bipyridine-κ2N,N′)[2-(3-thienyl)malonato-κ2O,O′]zinc(II) dihydrateemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
In the crystal structure of the title compound, [Zn(C7H4O4S)(C10H8N2)(H2O)]·2H2O, the ZnII ion assumes a trigonal–bipyramidal coordination geometry completed by two N atoms from a 2,2′-bipyridine ligand, two O atoms from a 2-(3-thienyl)malonate anion and a water molecule. The S atom of the 2-(3-thienyl)malonate ligand is disordered over two sites with an occupancy ratio of 0.701 (5):0.299 (5). Intermolecular O—H...O hydrogen bonding is present in the crystal structure. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 18, 2009 Category: Chemistry Authors: Meng, C.-X.Zheng, X.-G.Fu, F.Zhang, X.-N.Zhang, P. Tags: metal-organic compounds Source Type: journals

Chlorido(dimethyl sulfoxide-κO)triphenyltin(IV)email this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
In the title compound, [Sn(C6H5)3Cl(C2H6OS)], the SnIV atom is coordinated by three phenyl groups, a chloride ion and a dimethyl sulfoxide molecule in a distorted trigonal-bipyramidal geometry. In the crystal, adjacent molecules are linked through intermolecular C—H...Cl hydrogen bonds, weak C—H...π interactions and π–π interactions [centroid–centroid distance = 3.934 (3) Å. An intramolecular C—H...π interaction is also observed. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 18, 2009 Category: Chemistry Authors: Kumar, S.Shadab, S.M.Idrees, M. Tags: metal-organic compounds Source Type: journals

[2-(Tetrazol-1-yl)acetato-κO]tris(triphenylphosphine-κP)silver(I) monohydrateemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
The AgI atom in the title compound, [Ag(C3H3N4O2)(C18H15P)3]·H2O, exists in a distorted tetrahedral environment. The uncoordinated water molecule forms only one hydrogen bond to the uncoordinated carbonyl O atom. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 18, 2009 Category: Chemistry Authors: Zhao, J.Hu, Z.-Z.Zheng, X.-G.Ng, S.W. Tags: metal-organic compounds Source Type: journals

trans-Bis(μ-2-hydroxyethanethiolato-κ2S:S)bis[dinitrosyliron(II)](Fe—Fe)email this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
The title complex, [Fe2(C2H5OS)2(NO)4], lies on a crystallographic inversion center. The Fe—Fe distance is characteristic of a metal–metal bond. In the crystal structure, intermolecular O—H...O hydrogen bonds link complex molecules into a two-dimensional network. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 18, 2009 Category: Chemistry Authors: Lee, H.M.Chiou, S.-J. Tags: metal-organic compounds Source Type: journals

Bis[(E)-4-bromo-2-(methoxyiminomethyl)phenolato-κ2N,O1]copper(II)email this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
In the title centrosymmetric mononuclear copper(II) complex, [Cu(C8H7BrNO2)2], the CuII atom, lying on an inversion centre, is four-coordinated in a trans-CuN2O2 square-planar geometry by two phenolate O atoms and two oxime N atoms from two symmetry-related N,O-bidentate oxime-type ligands. Intermolecular C—H...O hydrogen bonds link neighbouring molecules into a one-dimensional supramolecular structure with an R22(14) ring motif. This structure is further stabilized by π–π stacking interactions between adjacent benzene rings [centroid–centroid distance = 3.862 (1) Å]. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 18, 2009 Category: Chemistry Authors: Chai, L.-Q.Yao, J.Gong, S.-S. Tags: metal-organic compounds Source Type: journals

Bis[3-(2-carboxyethenyl)pyridinium-1-acetato]dichloridozinc(II)email this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
In the title complex, [ZnCl2(C10H9NO4)2], the ZnII ion lies on a twofold rotation axis and is four-coordinated by two carboxylate O atoms from two 3-(2-carboxyethenyl)pyridinium-1-acetate ligands in a monodentate mode and two Cl atoms in a distorted tetrahedral geometry. In the crystal structure, intermolecular O—H...O hydrogen bonds link the molecules into a double-chain structure extending parallel to [101]. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 18, 2009 Category: Chemistry Authors: Jing, X.-H.Sun, W.-W.Gao, E.-Q. Tags: metal-organic compounds Source Type: journals

[μ-1,1′-Bis(diphenylphosphino)ferrocene-κ2P:P′]bis{[(Z)-O-isopropyl-N-(4-methylphenyl)thiocarbamato-κS]gold(I)}email this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
In the title compound, [Au2Fe(C11H14NOS)2(C17H14P)2], the FeII atom is located on a crystallographic centre of inversion. For the AuI atom, the deviation from linearity defined by its S,P-donor set [S—Au—P = 178.17 (8) Å] is due to an intramolecular Au...O contact [3.079 (4) Å]. In the crystal, supramolecular chains mediated by C—H...N interactions are formed, which run parallel to [001]. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 18, 2009 Category: Chemistry Authors: Tadbuppa, P.P.Tiekink, E.R.T. Tags: metal-organic compounds Source Type: journals

Poly[[μ2-acetato-aquadi-μ3-isonicotinato-dysprosium(III)silver(I)] perchlorate]email this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
In the title three-dimensional heterometallic complex, {[AgDy(C6H4NO2)2(C2H3O2)(H2O)]ClO4}n, the Dy(III) ion is eight-coordinated by four O atoms from four different isonicotinate ligands, three O atoms from two different acetate ligands and one O atom of water molecule. The two-coordinate AgI ion is bonded to two N atoms from two different isonicotinate anions. These metal coordination units are connected by bridging isonicotinate and acetate ligands, generating a three-dimensional network. The coordinated water molecules link the carboxylate group and the acetate ligand by O—H...O hydrogen bonding. The perchlorate anio...
Source: Acta Crystallographica Section E - November 18, 2009 Category: Chemistry Authors: Zhu, L.-C. Tags: metal-organic compounds Source Type: journals

Dichlorido[N′-(3,5-dichloro-2-hydroxybenzylidene)pyridine-4-carbohydrazide-κN](1,10-phenanthroline-κ2N,N′)cobalt(II) methanol monosolvateemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
In the title compound, [CoCl2(C13H9Cl2N3O2)2(C12H8N2)]·CH3OH, the CoII atom is octahedrally coordinated by two N atoms from the pyridyl rings of the tridentate N′-(3,5-dichloro-2-hydroxybenzylidene)pyridine-4-carbohydrazide (H2L) ligand, two N atoms from the 1,10-phenanthroline ligand and two chloride ions. The acylhydrazone groups are not involved into the coordination of the metal ion. In the crystal packing an extended three-dimensional network formed by N—H...Cl, N—H...O, O—H...N, O—H...N and O—H...Cl hydrogen bonds is observed. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 18, 2009 Category: Chemistry Authors: Wang, Y.Liu, Z.Liu, B. Tags: metal-organic compounds Source Type: journals

(Dimethyl sulfoxide-κO)diphenyl(3-thioxo-3H-1,2-dithiole-4,5-dithiolato-κ2S4,S5)tin(IV)email this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
The Sn atom in the title compound, [Sn(C6H5)2(C3S5)(C2H6OS)], exists within a distorted trigonal-bipyramidal geometry defined by two S atoms of the 1,2-dithiole-3-thione-4,5-dithiolate dianion, two ipso-C atoms from the phenyl groups, and the O atom of the dimethyl sulfoxide molecule. In this description, one of the S atoms and the O occupy axial positions. In the crystal, centrosymmetrically related molecules associate via pairs of C—H...S contacts, forming dimeric aggregates. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 18, 2009 Category: Chemistry Authors: Comerlato, N.M.Tiekink, E.R.T.Wardell, J.L.Wardell, S.M.S.V. Tags: metal-organic compounds Source Type: journals

Methanol{2-methoxy-6-[(2-oxidopropyl)iminomethyl]phenolato}dioxidomolybdenum(VI)email this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
In the structure of the title compound, [Mo(C11H13NO3)O2(CH3OH)], the MoVI ion is octahedrally coordinated by two oxide O atoms, the N atom and two deprotonated OH groups of the tridentate Schiff base ligand 2-methoxy-6-[(2-oxidopropyl)iminomethyl]phenolate and by a methanol O atom. In the crystal structure, two complexes are linked via O—H...O hydrogen bonds, yielding a centrosymmetric arrangement involving the methanol hydroxy group and one of the ligand O atoms coordinated to the MoVI ion. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 18, 2009 Category: Chemistry Authors: Saeednia, S.Sheikhshoaie, I.Stoeckli-Evans, H. Tags: metal-organic compounds Source Type: journals

(E)-4-Chlorobenzyl 3-(3-nitrobenzylidene)dithiocarbazateemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
In the title compound, C15H12ClN3O2S2, the dihedral angle between the aromatic rings is 89.71 (10)°. In the crystal, inversion dimers linked by pairs of N—H...S hydrogen bonds occur. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 14, 2009 Category: Chemistry Authors: Li, H.-Q.Luo, Y.Li, D.-D.Zhu, H.-L. Tags: organic compounds Source Type: journals

(4-Methylphenyl)[1-(4-methylphenyl)-3-(5-nitro-2-furyl)-1H-pyrazol-4-yl]methanoneemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
In the title pyrazole compound, C22H17N3O4, an intramolecular C—H...O contact generates a seven-membered ring, producing an S(7) ring motif. The furan and pyrazole rings are essentially planar [maximum deviations = 0.004 (1) and 0.004 (2) Å, respectively] and are almost coplanar, making a dihedral angle of 3.75 (10)°. One of the methylphenyl groups is inclined to the pyrazole ring, as indicated by the dihedral angle of 48.41 (9)°. In the crystal structure, molecules are linked into chains along [\overline{1}10] by C—H...O contacts. The crystal structure is further stabilized by π–π interactions [centro...
Source: Acta Crystallographica Section E - November 14, 2009 Category: Chemistry Authors: Goh, J.H.Fun, H.-K.NithinchandraRai, N.S.Kalluraya, B. Tags: organic compounds Source Type: journals

6-(4-Fluorophenethyl)-7-imino-3-phenyl-2,3,6,7-tetrahydro-1,3-thiazolo[4,5-d]pyrimidine-2-thioneemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
In the title compound, C19H15FN4S2, the mean plane of the thiazolopyrimidine makes a dihedral angle of 77.6 (1)° with the attached phenyl ring. The crystal packing is stabilized by intermolecular C—H...N hydrogen bonds and weak C—H—π stacking interactions. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 14, 2009 Category: Chemistry Authors: Liang, Y.He, H.-W.Yang, Z.-W. Tags: organic compounds Source Type: journals

2-(3,4,5-Trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridineemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
In the title compound, C16H16N2O3, the 3,4,5-trimethoxyphenyl group makes a dihedral angle of 10.04 (7)° toward the 1H-pyrrolo[2,3-b]pyridine system. The crystal structure displays intermolecular N—H...N hydrogen bonds, forming inversion dimers. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 14, 2009 Category: Chemistry Authors: Selig, R.Schollmeyer, D.Albrecht, W.Laufer, S. Tags: organic compounds Source Type: journals

Methyl 4-nitrobenzoateemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
In the molecule of the title compound, C8H7NO4, the nitro group is approximately coplanar with the benzene ring [dihedral angle = 0.6 (1)°], while the dihedral angle between the methoxycarbonyl group and the benzene ring is 8.8 (1)°. In the crystal structure, weak intermolecular aromatic C—H...Ocarboxyl and C—H...Onitro hydrogen-bonding interactions are present. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 14, 2009 Category: Chemistry Authors: Wu, H.Xie, M.-H.Zou, P.Liu, Y.-L.He, Y.-J. Tags: organic compounds Source Type: journals

Ethyl 2-(3,3-dibutylthioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylateemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
In the title compound, C20H32N2O2S2, the cyclohexene ring is disordered over two half-boat conformations with occupancy factors of 0.71:0.29. One n-butyl chain is also disordered over two positions with occupancy factors of 0.83:0.17. The molecular conformation is stabilized by an intramolecular N—H...O hydrogen bond. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 14, 2009 Category: Chemistry Authors: Wang, H.-M.Xu, J.Zeng, X.-H.Tian, J.-H. Tags: organic compounds Source Type: journals

(E,E)-N,N′-Bis[4-(methylsulfonyl)benzylidene]ethane-1,2-diamineemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
In the crystal structure of the title Schiff base compound, C18H20N2O4S2, the molecule lies across a crystallographic inversion centre. The torsion angle of the N—C—C—N fragment is 180°, as the inversion centre bisects the central C—C bond. The crystal packing is stabilized by C—H...O hydrogen bonds and aromatic π–π stacking interactions with a centroid–centroid distance of 3.913 (2) Å. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 14, 2009 Category: Chemistry Authors: Qian, S.-S.Cui, H.-Y. Tags: organic compounds Source Type: journals

2-[4,5-Bis(ethylsulfanyl)-1,3-dithiol-2-ylidene]-5-(4-methoxyphenyl)-5H-1,3-dithiolo[4,5-c]pyrroleemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
The asymmetric unit of the title compound, C19H19NOS6, contains two independent molecules with different conformations of the ethyl groups. The dihedral angles between the pyrrole and benzene rings are 14.19 (14) and 16.29 (17)° in the two molecules. In the absence of short intermolecular contacts, in the crystal, the molecules are packed with their long axes parallel to [10\overline{1}]. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 14, 2009 Category: Chemistry Authors: Leng, F.-S.Li, B.Yin, B.-Z.Wu, L.-X. Tags: organic compounds Source Type: journals

(E)-4-[4-(Dimethylamino)benzylideneamino]benzonitrileemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
The molecule of the title compound, C16H15N3, displays a trans configuration with respect to the C=N double bond. The molecule is not planar, the dihedral angle between the benzene rings being 57.83 (9)°. The crystal packing is stabilized only by van der Waals interactions. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 14, 2009 Category: Chemistry Authors: Zhou, J.-C.Zhang, Z.-Y.Li, N.-X.Zhang, C.-M. Tags: organic compounds Source Type: journals

N,1-Bis(4-chloro-2-methylbenzyl)-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-3-carboxamideemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
In the title molecule, C27H26Cl2N2O2, the chloro-substituted benzene rings make dihedral angles of 83.29 (9) and 80.81 (9)° with the benzene ring of the tetrahydroquinoline group. The dihedral angle formed by the two chloro-substituted benzene rings is 40.87 (12)°. The six-membered N-containing ring is in a half-chair conformation. In the crystal structure, intermolecular N—H...O hydrogen bonds link molecules into centrosymmetric dimers. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 14, 2009 Category: Chemistry Authors: Porosa, L.Viirre, R.D.Lough, A.J. Tags: organic compounds Source Type: journals

(4-Methylphenyl)[3-(5-nitro-2-furyl)-1-phenyl-1H-pyrazol-4-yl]methanoneemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
In the title pyrazole compound, C21H15N3O4, an intramolecular C—H...O hydrogen bond generates an S(7) ring motif. The essentially planar furan and pyrazole rings [maximum atomic deviations of 0.011 (2) and 0.006 (2) Å, respectively] make a dihedral angle of 9.21 (11)°. The nitro group is approximately coplanar with the attached furan ring, as indicated by the dihedral angle of 4.5 (2)°. In the crystal structure, intermolecular C—H...O interactions form bifurcated hydrogen bonds, generating R12(7) ring motifs. These hydrogen bonds link the molecules into infinite chains along the a axis. The crystal structu...
Source: Acta Crystallographica Section E - November 14, 2009 Category: Chemistry Authors: Goh, J.H.Fun, H.-K.NithinchandraKalluraya, B. Tags: organic compounds Source Type: journals

meso-4,5-Diphenylimidazolidin-2-oneemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
The crystal structure determination of the title compound, C15H14N2O, confirms the cis relationship between the phenyl groups at the 4- and 5-positions on the imidazolidine ring. The dihedral angle between the two phenyl rings is 48.14 (6)°. In the crystal structure, intermolecular N—H...O hydrogen bonds link molecules into centrosymmetric dimers. These dimers are, in turn, linked into a two-dimensional network via weak N—H...π(arene) interactions and π–π stacking interactions with centroid–centroid distances of 3.6937 (11) Å. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 14, 2009 Category: Chemistry Authors: Galas, H.Viirre, R.D.Lough, A.J. Tags: organic compounds Source Type: journals

4-Benzenesulfonamidobenzoic acidemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
In the molecule of the title sulfonamide compound, C13H11NO4S, the dihedral angle between the planes of the benzene ring and the carboxyl substituent group is 6.7 (4)°. The two aromatic rings are inclined at 45.36 (15)° to one another. In the crystal, adjacent molecules are linked via classical intermolecular N—H...O and O—H...O, and non-classical C—H...O hydrogen bonds, which stabilize the crystal structure. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 14, 2009 Category: Chemistry Authors: Sharif, H.M.A.Dong, G.-Y.Arshad, M.N.Khan, I.U. Tags: organic compounds Source Type: journals

(2E,6E)-2,6-Difurfurylidenecyclohexanoneemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
The complete molecule of the title compound, C16H14O3, is generated by crystallographic mirror symmetry, with two C atoms and one O atom lying on the mirror plane. The molecule adopts an E configuration about the C=C bond and the dihedral angle between the furan rings is 16.1 (2)°. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 14, 2009 Category: Chemistry Authors: Ma, S.-Y.Zheng, Z.-B.Sun, Y.-F.Wang, Z.-Y. Tags: organic compounds Source Type: journals

(2E,5E)-2,5-Difurfurylidenecyclopentanoneemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
In the title molecule, C15H12O3, the three five-membered rings are nearly coplanar: the dihedral angles between the cyclopentanone ring and the furan rings are 3.5 (2) and 9.7 (2)°, and the two furan rings form a dihedral angle of 7.2 (2)°. In the crystal structure, weak intermolecular C—H...O hydrogen bonds help to consolidate the crystal packing. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 14, 2009 Category: Chemistry Authors: Ma, S.-Y.Zheng, Z.-B. Tags: organic compounds Source Type: journals

t-3-Pentyl-r-2,c-6-diphenylpiperidin-4-oneemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
In the title molecule, C22H27NO, the piperidine ring adopts a chair conformation, with all substituents equatorial. The dihedral angle between the two phenyl rings is 56.90 (5)°. In the crystal, molecules are linked by weak C—H...O hydrogen bonds. A C—H...π interaction involving the phenyl ring at the 6-position is also found in the crystal structure. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 14, 2009 Category: Chemistry Authors: Gayathri, P.Jayabharathi, J.Rajarajan, R.Thiruvalluvar, A.Butcher, R.J. Tags: organic compounds Source Type: journals

1-Bromo-3,5-diphenylbenzeneemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
The title compound, C18H13Br, crystallizes with two crystallographically independent molecules in the asymmetric unit. The C—Br bond lengths and the C—C bond lengths between the benzene rings are slightly different in the two molecules. The dihedral angles between adjacent benzene rings are 26.85 (2) and 39.99 (2)° in one molecule, and 29.90 (2) and 38.01 (2)° in the other. There are three types of intermolecular C—H...π interactions in the crystal structure. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 14, 2009 Category: Chemistry Authors: Wang, Z.-Q.Li, H.-M.Sun, X.-J.Cen, F.-F.Ji, B.-M. Tags: organic compounds Source Type: journals

N,N-Bis(diphenylphosphino)ethylamineemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
In the title compound, C26H25NP2, the diphenylphosphino groups are staggered relative to the PNP backbone, even though the ethyl substituent coordinated to the N atom is not sterically bulky. The N atom adapts an almost planar geometry with two P atoms and a C atom of the allyl group attached to it in order to accommodate the steric bulk of the phenyl groups and the alkyl group. The distortion of the trigonal-pyramidal geometry of the nitrogen is further illustrated by the bond angles which range between 114.0 (1) and 123.7 (1)°. There are no classical intermolecular interactions. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 14, 2009 Category: Chemistry Authors: Cloete, N.Visser, H.G.Roodt, A.Gabrielli, W.F. Tags: organic compounds Source Type: journals

(E)-Benzyl 3-(3-nitrobenzylidene)dithiocarbazateemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
In the title compound, C15H13N3O2S2, the dihedral angle between the aromatic rings is 87.8 (2)°. In the crystal, inversion dimers occur linked by pairs of N—H...S hydrogen bonds. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 14, 2009 Category: Chemistry Authors: Li, H.-Q.Luo, Y.Qin, X.Zhu, H.-L. Tags: organic compounds Source Type: journals

Boc-AzAla-Ala-OMeemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
The title compound (systematic name: tert-butyl 3-{[1-(methoxycarbonyl)ethyl]aminocarbonyl}-3-methylcarbazate), C11H21N3O5, is a precursor for the study of a new class of foldamer based on aza/α-dipeptide oligomerization [Abbas et al. (2009). Tetrahedron Lett. 50, 4158–4160]. The asymmetric unit consists of one molecule in an extended conformation which is stabilized by intermolecular N—H...O and C—H...O hydrogen bonding. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 14, 2009 Category: Chemistry Authors: Abbas, C.Jamart Grégoire, B.Vanderesse, R.Didierjean, C. Tags: organic compounds Source Type: journals

Methyl 2-(3-benzoylthioureido)acetateemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
In the title compound, C11H12N2O3S, the methyl acetate and benzoyl groups adopt a cis-trans configuration with respect to the thiono S atom across the C—N bonds. An intramolecular N—H...O hydrogen bond is observed. In the crystal packing, molecules are linked by intermolecular N—H...S and C—H...O hydrogen bonds to form a two-dimensional network lying parallel to (101). (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 14, 2009 Category: Chemistry Authors: Hassan, I.N.Yamin, B.M.Kassim, M.B. Tags: organic compounds Source Type: journals

Methyl 2-allyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxideemail this articleEmail this article to a colleague. save this article to My ClippingsSave this article to My Clippings. discuss this articleDiscuss or comment on this article.
In the title compound, C13H13NO5S, the thiazine ring adopts a distorted half-chair conformation. Intramolecular O—H...O and C—H...O hydrogen bonds give rise to two six-membered hydrogen bonded rings. In the crystal, molecules are linked through weak intermolecular C—H...O hydrogen bonds, resulting in a zigzag chain lying along the c axis. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 14, 2009 Category: Chemistry Authors: Arshad, M.N.Zia-ur-Rehman, M.Khan, I.U. Tags: organic compounds Source Type: journals