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Theoretical investigation of the oxidation pathways of HO•-initiated reactions of acrolein, methacrolein, and trans-crotonaldehydeEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
Sabry El-Taher - Ab initio molecular-orbital calculations have been performed to investigate the reaction mechanisms of the HO•-initiated reactions of the α,β-unsaturated aldehydes: acrolein (ACR), methacrolein (MACR), and... (Source: Canadian Journal of Chemistry)
Source: Canadian Journal of Chemistry - November 21, 2009 Category: Chemistry Source Type: journals

Remarkable high-yielding chemical modification of gold nanoparticles using uncatalyzed click-type 1,3-dipolar cycloaddition chemistry and hyperbaric conditionsEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
Hossein Ismaili, Abdolhamid Alizadeh, Kristen E. Snell, and Mark S. Workentin - Azide-terminated alkyl thiolate monolayer-protected gold nanoparticles (1-C12MPN) with a core size of 1.8 ± 0.2 nm were prepared. 1-C12MPN was modified in high yields via an uncatalyzed 1,3-dipolar... (Source: Canadian Journal of Chemistry)
Source: Canadian Journal of Chemistry - November 21, 2009 Category: Chemistry Source Type: journals

Organocatalytic Asymmetric Triple Domino Reactions of Nitromethane with α,β-Unsaturated AldehydesEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
Synlett null; null: e5-e5DOI: 10.1055/s-0029-1218349© Georg Thieme Verlag Stuttgart ˙ New YorkGet connected:Table of contents | FREE: Full text (Source: Synlett)
Source: Synlett - November 21, 2009 Category: Chemistry Tags: addenda and errata Source Type: journals

Sustainable Click Reaction Catalyzed by Supported Ionic Liquid Catalyst (Cu-SILC)Email this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
Synlett null; null: 3224-3224DOI: 10.1055/s-0029-1218519© Georg Thieme Verlag Stuttgart ˙ New YorkGet connected:Table of contents | FREE: Full text (Source: Synlett)
Source: Synlett - November 21, 2009 Category: Chemistry Tags: addenda and errata Source Type: journals

A Novel, Practical Synthesis of Sulfonyl Chlorides from Thiol and Disulfide DerivativesEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
Synlett null; null: 3223-3223DOI: 10.1055/s-0029-1218520© Georg Thieme Verlag Stuttgart ˙ New YorkGet connected:Table of contents | FREE: Full text (Source: Synlett)
Source: Synlett - November 21, 2009 Category: Chemistry Tags: addenda and errata Source Type: journals

Synform issue 2009/09Email this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
Synlett null; null: A76-A85DOI: 10.1055/s-0029-1218524© Georg Thieme Verlag, Rüdigerstr. 14, 70469 Stuttgart, Germany. All rights reserved. This journal, including all individual contributions and illustrations published therein, is legally protected by copyright for the duration of the copyright period. Any use, exploitation or commercialization outside the narrow limits set by copyright legislation, without the publisher's consent, is illegal and liable to criminal prosecution. This applies in particular to photostat reproduction, copying, cyclostyling, mimeographing or duplication of any kind, translating, preparation...
Source: Synlett - November 21, 2009 Category: Chemistry Tags: synform Source Type: journals

TBAH-Catalyzed One-Pot Synthesis of Symmetrical Trithiocarbonates from Alkyl Halides and Carbon Disulfide under Neat Aqueous ConditionsEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
SynthesisDOI: 10.1055/s-0029-1217132AbstractA novel and efficient, tetra--butylammonium hydroxide catalyzed, one-pot protocol has been developed for the synthesis of symmetrical trithiocarbonates from alkyl halides and carbon disulfide under neat aqueous conditions.[...]© Georg Thieme Verlag Stuttgart ˙ New YorkGet connected:Table of contents | Abstract | Full text (Source: Synthesis)
Source: Synthesis - November 21, 2009 Category: Chemistry Tags: short paper Source Type: journals

p-Quinols and p-Quinol Ethers from 2,4,6-TrialkylphenolsEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
SynthesisDOI: 10.1055/s-0029-1217127AbstractThe oxidation of 2,4,6-trialkylphenols with lead(IV) oxide and 70% perchloric acid in water-acetone or in alcohols gives -quinols or -quinol ethers, respectively. Some nonmetallic oxidants serve the same purpose.[...]© Georg Thieme Verlag Stuttgart ˙ New YorkGet connected:Table of contents | Abstract | Full text (Source: Synthesis)
Source: Synthesis - November 21, 2009 Category: Chemistry Tags: short paper Source Type: journals

Dess-Martin Periodinane Mediated Intramolecular Cyclization of Phenolic Azomethines: A Solution-Phase Strategy toward Benzoxazoles and BenzothiazolesEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
SynthesisDOI: 10.1055/s-0029-1217136AbstractDess-Martin periodinane (DMP), a highly versatile hypervalent iodine(V) reagent, was found to efficiently mediate the intramolecular cyclization of phenolic azomethines/Schiff bases at ambient temperature leading to the rapid and expeditious synthesis of substituted benzoxazoles and benzothiazoles. Furthermore, a solution-phase strategy has been developed by treating the reaction mixtures sequentially with Amberlyst A-26 thiosulfate resin and diisopropylaminomethyl resin (PS-DIEA), which remove excess reagent and byproducts, to give pure products. [...]© Georg Thieme Verlag Stut...
Source: Synthesis - November 21, 2009 Category: Chemistry Tags: short paper Source Type: journals

Enantioselective Organocatalytic Diels-Alder ReactionsEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
SynthesisDOI: 10.1055/s-0029-1217130AbstractEnantioselective organocatalytic asymmetric Diels-Alder reactions provide a facile and efficient route to optically active functionalized cyclohexenes, which can be further transformed into a variety of important organic compounds. A variety of small organic molecules such as prolines, imidazolidinones, chiral Brønsted acids, guanidines, carbenes and alkaloids can be used as different catalyst systems to induce enantioselectivity in the reaction. This review provides an overview of the history of the asymmetric organocatalyzed Diels-Alder reaction.[...]© Georg Thieme Verlag...
Source: Synthesis - November 21, 2009 Category: Chemistry Tags: review Source Type: journals

Direct Conversion of Carbon-Hydrogen into Carbon-Carbon Bonds by First-Row Transition-Metal CatalysisEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
SynthesisDOI: 10.1055/s-0029-1217131AbstractThis review summarizes first-row transition-metal catalysis for the conversion of carbon-hydrogen into carbon-carbon bonds. In particular, catalysis by manganese, iron, cobalt, copper, and nickel is covered. These metals are abundant in the Earth’s crust but so far they have been comparatively underutilized in carbon-hydrogen bond-functionalization reactions.[...]© Georg Thieme Verlag Stuttgart ˙ New YorkGet connected:Table of contents | Abstract | Full text (Source: Synthesis)
Source: Synthesis - November 21, 2009 Category: Chemistry Tags: review Source Type: journals

Mild and High-Yielding Synthesis of β-Keto Esters and β-KetoamidesEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
SynthesisDOI: 10.1055/s-0029-1217135AbstractIn the presence of sodium acetate, the reaction between 2,2,6-trimethyl-4-1,3-dioxin-4-one and secondary or tertiary alcohols (including chiral ones) or primary or secondary amines could be carried out in refluxing tetrahydrofuran, under much milder conditions than those described in the literature. In these new conditions, side products normally observed using the traditional protocol were avoided, and β-keto esters and β-ketoamides were normally obtained in quantitative yields.[...]© Georg Thieme Verlag Stuttgart ˙ New YorkGet connected:Table of contents | �...
Source: Synthesis - November 21, 2009 Category: Chemistry Tags: practical synthetic procedures Source Type: journals

Large-Scale Preparation of Polyfunctional Benzylic Zinc Reagents by Direct Insertion of Zinc Dust into Benzylic Chlorides in the Presence of Lithium ChlorideEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
SynthesisDOI: 10.1055/s-0029-1217134AbstractHighly functionalized benzylic zinc chlorides are prepared by the direct insertion of commercially available zinc dust into the corresponding benzylic chlorides in the presence of stoichiometric amount of lithium chloride. These polyfunctional zinc organometallics react with various electrophiles leading to a broad range of functionalized products.[...]© Georg Thieme Verlag Stuttgart ˙ New YorkGet connected:Table of contents | Abstract | Full text (Source: Synthesis)
Source: Synthesis - November 21, 2009 Category: Chemistry Tags: practical synthetic procedures Source Type: journals

An Alternative to Pictet-Gams Reaction Triggered by Hendrickson Reagent: Isoquinolines and β-Carbolines from AmidesEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
SynthesisDOI: 10.1055/s-0029-1217138AbstractThe Hendrickson reagent derived from triflic anhydride and triphenylphosphine oxide exhibited high oxophilicity and induced the intramolecular cyclization of β-arylethylamides perfectly. Thus, a one-pot protocol to access isoquinoline and β-carboline was developed involving cyclization followed by oxidative aromatization.[...]© Georg Thieme Verlag Stuttgart ˙ New YorkGet connected:Table of contents | Abstract | Full text (Source: Synthesis)
Source: Synthesis - November 21, 2009 Category: Chemistry Tags: paper Source Type: journals

Facile [2+2] Cycloaddition of DDQ to an Alkyne: Synthesis of Pyrrolyl- and Indolylbicyclo[4.2.0]octadienes from C-Ethynylpyrroles or C-EthynylindolesEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
SynthesisDOI: 10.1055/s-0029-1217133Abstract-Ethynylpyrroles or -indoles, which can be prepared by cross-coupling of pyrroles or indoles with haloalkynes on active surfaces, undergo [2+2]-cycloaddition reactions with 2,3-dichloro-5,6-dicyano-1,4-benzoquinone to give 2-pyrrolyl- or 3-indolylbicyclooctadienes in almost quantitative yields. The adducts are charge-transfer complexes that are paramagnetic in the solid state, and therefore represent a new family of densely functionalized pyrrole and indole derivatives potentially useful as pharmaceutical candidates, highly potent building blocks, or precursors of advanced materi...
Source: Synthesis - November 21, 2009 Category: Chemistry Tags: paper Source Type: journals

Synthesis of 5-Amino-1,10b-dihydro-2H-chromeno[3,4-c]pyridine-2,4(3H)-diones from Coumarins and Cyanoacetamides under Basic ConditionsEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
SynthesisDOI: 10.1055/s-0029-1217128AbstractThe reaction of various coumarins with cyanoacetamide derivatives under basic conditions (sodium ethoxide, piperidine or 2,2,6,6-tetramethylpiperidine), proceeds via an interesting process which involves skeletal rearrangement of the coumarin, a Michael addition and two cyclizations to afford 5-amino-1,10b-dihydro-2-chromeno[3,4-]pyridine-2,4(3)-diones. The same reaction in the presence of ,¢-ethane-1,2-diylbis(2-cyanoacetamide) gives the corresponding mono and bis 5-amino-1,10b-dihydro-2-chromeno[3,4-]pyridine-2,4(3)-diones.[...]© Georg Thieme Verlag Stuttgart ˙ New YorkG...
Source: Synthesis - November 21, 2009 Category: Chemistry Tags: paper Source Type: journals

An Approach to Azabicyclo[n.3.1]alkanes by Double Mannich ReactionEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
SynthesisDOI: 10.1055/s-0029-1217137AbstractChlorotrimethylsilane-promoted double Mannich annulation of ketones using ,-bis(methoxymethyl)benzylamine has been explored. It has been shown that the structure of the substrate drastically influenced the outcome of the reaction. The method allows azabicyclo[.3.1]alkane derivatives ( = 2-5) to be obtained in good yields.[...]© Georg Thieme Verlag Stuttgart ˙ New YorkGet connected:Table of contents | Abstract | Full text (Source: Synthesis)
Source: Synthesis - November 21, 2009 Category: Chemistry Tags: paper Source Type: journals

A Convenient Two-Step Synthesis of 2-ArylbenzofuransEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
SynthesisDOI: 10.1055/s-0029-1217129AbstractA novel and convenient two-step synthesis of 2-arylbenzofurans is described which proceeds via a selective cross-pinacol-type coupling between a salicylaldehyde and an aromatic aldehyde, followed by an acid-promoted cyclization. One advantage of this method is that separation of the three possible pinacol products that can form during the cross-coupling is not necessary. This method is also applied to the synthesis of the 2-arylbenzofuran-containing natural product, homoegonol.[...]© Georg Thieme Verlag Stuttgart ˙ New YorkGet connected:Table of contents | Abstract �...
Source: Synthesis - November 21, 2009 Category: Chemistry Tags: paper Source Type: journals

Asymmetric Synthesis of All Stereoisomers of α-Methylthreonine Using an Organocatalytic Steglich Rearrangement Reaction as a Key StepEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
SynthesisDOI: 10.1055/s-0029-1217140AbstractAn efficient synthetic route to all four stereoisomers of α-methylthreonine has been established. Each type of stereoisomer has been isolated in diastereomerically pure form and with an enantiomeric excess of at least 86% ee. The key step in this multi-step synthesis is an enantioselective organocatalytic Steglich rearrangement reaction of O-acetylated azlactones. The Steglich rearrangement was also extended to other substrates.[...]© Georg Thieme Verlag Stuttgart ˙ New YorkGet connected:Table of contents | Abstract | Full text (Source: Synthesis)
Source: Synthesis - November 21, 2009 Category: Chemistry Tags: paper Source Type: journals

Synthesis of β-Arylporphyrins and Oligophenylenediporphyrins by the Suzuki-Miyaura ReactionEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
SynthesisDOI: 10.1055/s-0029-1217114AbstractSeveral β-aryl-substituted porphyrins were prepared in good yields by Suzuki-Miyaura cross-coupling of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,10,15,20-tetraphenylporphinatozinc(II) with various aryl bromides. Additionally, syntheses of β,β′-diporphyrins linked by biphenylene or quaterphenylene units were examined.[...]© Georg Thieme Verlag Stuttgart ˙ New YorkGet connected:Table of contents | Abstract | Full text (Source: Synthesis)
Source: Synthesis - November 21, 2009 Category: Chemistry Tags: paper Source Type: journals

Simple and Efficient Procedure for a Multigram Synthesis of Both trans- and cis-1-Amino-2-(trifluoromethyl)cyclopropane-1-carboxylic AcidEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
SynthesisDOI: 10.1055/s-0029-1217141AbstractA simple and efficient procedure for the multigram synthesis of both (±)-- and (±)--1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylic acid was developed. The key step of the synthesis is the addition of 1-diazo-2,2,2-trifluoroethane to methyl 2-[(-butoxycarbonyl)amino]acrylate, followed by thermal decomposition of the resulting pyrazoline. Gram quantities of - and -1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylic acid were easily prepared from -serine in one synthetic run.[...]© Georg Thieme Verlag Stuttgart ˙ New YorkGet connected:Table of contents | Abstrac...
Source: Synthesis - November 21, 2009 Category: Chemistry Tags: paper Source Type: journals

Ring Enlargement of Carbohydrate-Derived 1,2-Oxazines to Enantiopure 5-Bromo-1,2-oxazepines and Subsequent Palladium-Catalyzed ReactionsEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
SynthesisDOI: 10.1055/s-0029-1217126AbstractDibromocarbene addition to -glyceraldehyde-derived 1,2oxazines and provided dibromocyclopropane intermediates - and -, which smoothly reacted with methanol under ring enlargement to furnish 5-bromo-1,2oxazepine derivatives and . Related 1,2-oxazines such as arabinose-derived compounds furnished the 1,2-oxazepine derivatives - and -with fair efficacy. The alkenyl bromide moiety of 1,2-oxazepine derivatives and was then exploited for the introduction of new substituents via palladium-catalyzed C-C bond forming processes (Sonogashira, Suzuki, Stille, and Heck reactions). These tra...
Source: Synthesis - November 21, 2009 Category: Chemistry Tags: paper Source Type: journals

Breathe easy for cancer diagnosisEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
A painless breath test can identify trace gases emitted by malignant cells (Source: Chemistry World | Latest News)
Source: Chemistry World | Latest News - November 21, 2009 Category: Chemistry Source Type: journals

Pretty peptide patternsEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
The smallest building blocks to date have been used to make fractal patterns (Source: Chemistry World | Latest News)
Source: Chemistry World | Latest News - November 21, 2009 Category: Chemistry Source Type: journals

Nuclear waste research resurfacesEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
New enthusiasm for nuclear power by UK government has focused attention on the stockpiles of 50 years worth of accumulated radioactive waste (Source: Chemistry World | Latest News)
Source: Chemistry World | Latest News - November 21, 2009 Category: Chemistry Source Type: journals

Domino Multicomponent Michael-Michael-Aldol Reactions under Phase-Transfer Catalysis: Diastereoselective Synthesis of Pentasubstituted CyclohexanesEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
SynlettDOI: 10.1055/s-0029-1218523AbstractA simple, efficient, and environmental friendly domino multicomponent reaction to construct new cyclohexane derivatives with five new stereocenters, one of them quaternary, under phase-transfer catalysis is reported. This novel one-pot reaction allows the transformation of very simple starting materials into pentasubstituted cyclohexane derivatives bearing hydroxy, nitro, and ketone moieties and involving the formation of three new C-C bonds. All compounds have been formed in a completely diastereoselective way and have been isolated in high yields.[...]© Georg Thieme Verlag Stutt...
Source: Synlett - November 21, 2009 Category: Chemistry Tags: letter Source Type: journals

Heck Reaction in Diols and Cascade Formation of Cyclic KetalsEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
SynthesisDOI: 10.1055/s-0029-1217139AbstractThe regioselective Heckarylation of butyl vinyl ether in alcohols is utilized for the formation of a variety of cyclic ketals. When carried out in ethylene glycol, propane-1,2-diol, or propane-1,3-diol, the palladium-catalyzed arylation afforded dioxolanes or dioxanes directly. With diols such as glycerol, 3-chloropropane-1,2-diol, and 2-methylpropane-1,3-diol, isolation of the Heck adducts and the use of an acid catalyst for the ketalization were necessary; an efficient phosphoric acid was identified. The procedure presented provides a new pathway for the synthesis of cyclic ket...
Source: Synthesis - November 21, 2009 Category: Chemistry Tags: feature article Source Type: journals

On This Day in Science History - November 21 - IndiumEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
November 21st is Hieronymus Theodor Richter's birthday. Richter was a German chemist who discovered the element indium with Ferdinand Reich. They discovered the element using the relatively new technique of spectroscopy. When a substance is heated, the light it emits can be passed through a prism to separate individual bands of color that are unique to each element. They isolated a substance that turned out to be a new element that gave off a vivid indigo spectral line and named it indium. Indium is a shiny, silver-white metal with element number 49. It is a very soft metal that when bent emits a 'cry' that is a high pitch...
Source: About.com Chemistry - November 21, 2009 Category: Chemistry Source Type: consumer

Colored Fire VideoEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
If you've been wanting to make colored fire, but weren't sure quite what to do or what to expect, then watch my new green fire video tutorial. You can make the fire in pretty much any color you like simply by substituting one of the other colored fire chemicals for the boric acid used to make green fire.If you have suggestions for other chemistry videos you'd like to see, please post a reply describing your idea.Colored Fire Video originally appeared on About.com Chemistry on Saturday, November 21st, 2009 at 08:53:09.Permalink | Comment | Email this (Source: About.com Chemistry)
Source: About.com Chemistry - November 21, 2009 Category: Chemistry Source Type: consumer

4-Methyl-N-(2-methylphenyl)benzenesulfonamideEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
In the title compound, C14H15NO2S, the dihedral angle between the aromatic rings is 49.7 (1)°. In the crystal, inversion dimers linked by pairs of N—H...O hydrogen bonds occur. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 21, 2009 Category: Chemistry Authors: Nirmala, P.G.Gowda, B.T.Foro, S.Fuess, H. Tags: organic compounds Source Type: journals

2-Amino-3-methylpyridinium 2-amino-5-methylpyridinium sulfate monohydrateEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
The asymmetric unit of the title compound, 2C6H9N2+·SO42−·H2O, contains two isomeric protonated aminomethylpyridine cations, a sulfate anion and a solvent water molecule. The cations are in the iminium tautomeric form. In the crystal structure, intermolecular O—H...O, N—H...O and weak C—H...O hydrogen bonds link the components into a three-dimensional network. Additional stabilization is provided by weak π–π stacking interactions, with centroid–centroid distances of 3.758 (2) and 3.774 (1) Å. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 21, 2009 Category: Chemistry Authors: Gong, J.Chen, G.Ni, S.-F.Zhang, Y.-Y.Wang, H.-B. Tags: organic compounds Source Type: journals

4-(4-Bromophenyl)-2,6-diphenylpyridineEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
In the title compound, C23H16BrN, the three benzene rings show a disrotatory counter-rotating arrangement around the central pyridine ring and are twisted with respect to the pyridine ring with dihedral angles of 19.56 (13), 27.54 (13) and 30.51 (13)°. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 21, 2009 Category: Chemistry Authors: Cao, Q.Xie, Y.Jia, J.Hong, X.-W. Tags: organic compounds Source Type: journals

Ethyl 4-hydroxy-2,6-diphenyl-1-(2-thiomorpholinopropanoyl)-1,2,5,6-tetrahydropyridine-3-carboxylateEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
In the title compound, C27H32N2O4S, the thiomorpholine ring adopts a chair conformation and the tetrahydropyridine ring is in a distorted envelope conformation. The molecular structure is stabilized by an intramolecular O—H...O interaction and the crystal packing is stabilized by an intermolecular C—H...O interaction, generating an S(6) motif and a dimer of the type R22(18), respectively. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 21, 2009 Category: Chemistry Authors: Aridoss, G.Gayathri, D.Park, K.S.Kim, J.T.Jeong, Y.T. Tags: organic compounds Source Type: journals

2-[(4-Hydroxyphenyl)diazenyl]benzoic acid–N,N′-bis(4-pyridylmethyl)oxamide (2/1)Email this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
The asymmetric unit of the title co-crystal, 2C13H10N2O3·C14H14N4O2, comprises one molecule of 2-(4-hydroxyphenyldiazenyl)benzoic acid and half of an N,N′-bis(4-pyridylmethyl)oxamide molecule as the latter is disposed about an inversion centre. The most notable feature of the crystal structure is the formation of supramolecular chains arising from hydroxy–pyridine O—H...N contacts and amide–hydroxy C—H...O contacts. These give rise to 40-membered {...OH...NNC4OH...NC4NC2NH}2 synthons, generating supramolecular chains along [01\overline{1}]. The chains are connected into a two-dimensional array via C—H...π int...
Source: Acta Crystallographica Section E - November 21, 2009 Category: Chemistry Authors: Arman, H.D.Miller, T.Poplaukhin, P.Tiekink, E.R.T. Tags: organic compounds Source Type: journals

Phenazine–naphthalene-1,5-diamine–water (1/1/2)Email this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
The asymmetric unit of the title compound, C12H8N2·C10H10N2·2H2O, contains one half-molecule of phenazine, one half-molecule of naphthalene-1,5-diamine and one water molecule. The phenazine and naphthalene-1,5-diamine molecules are located on inversion centers. The water molecules serve as bridges between the naphthalene-1,5-diamine molecules and also between the naphthalene-1,5-diamine and phenazine molecules. The naphthalene-1,5-diamine and water molecules are connected via N—H...O and O—H...N hydrogen bonds, forming a T4(2) motif. They are arranged into a two-dimensional polymeric structure parallel to (10\overlin...
Source: Acta Crystallographica Section E - November 21, 2009 Category: Chemistry Authors: Czapik, A.Gdaniec, M. Tags: organic compounds Source Type: journals

2-(m-Tolyliminomethyl)phenolEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
The title compound, C14H13NO, is non-planar with a dihedral angle of 47.00 (6)° between the planes of the two aromatic rings. Intramolecular hydrogen bonding is observed between the O—H group and the N atom, resulting in a phenol–imine tautomeric form. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 21, 2009 Category: Chemistry Authors: Brink, A.Roodt, A.Visser, H.G. Tags: organic compounds Source Type: journals

(E)-1-Bromo-4-(2-nitroprop-1-enyl)benzeneEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
The title compound, C9H8BrNO2, which was synthesized by the condensation of 4-bromobenzaldehyde with nitroethane, possesses a trans configuration. The dihedral angle between the benzene ring and the mean plane of the double bond is 7.31 (3)°. The crystal structure is stabilized by short intermolecular Br...O contacts [3.168 (4) Å]. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 21, 2009 Category: Chemistry Authors: Li, B. Tags: organic compounds Source Type: journals

o-Phenylenediammonium bis(3-carboxy-4-hydroxybenzenesulfonate)Email this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
In the title salt, C6H10N22+·2C7H5O6S−, the negative charge of the anion resides on the sulfonate group. In the crystal, the cations and anions are linked by N—H...O and O—H...O hydrogen bonds, forming a three-dimensional network. The complete dication is generated by crystallographic twofold symmetry. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 21, 2009 Category: Chemistry Authors: Ma, Y.-S.Yang, W.-W. Tags: organic compounds Source Type: journals

rac-2-Iodo-3,4-dihydronaphthalen-1(2H)-oneEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
In the title compound, C10H9IO, the asymmetric unit contains two molecules, in which the iodo-bearing six-membered rings adopt envelope conformations [displacements of the flap atoms = 0.419 (3) and 0.431 (3) Å]. In both molecules, the I atoms are disordered over two set of sites in 0.54 (4):0.46 (4) and 0.71 (3):0.29 (3) ratios. In the crystal, the packing features a weak C—H...π interaction. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 21, 2009 Category: Chemistry Authors: Raza, A.R.Tahir, M.N.Sultan, A.Danish, M.Sohail, M. Tags: organic compounds Source Type: journals

(S)-6-Chloro-4-cyclopropylethynyl-4-trifluoromethyl-1H-3,1-benzoxazin-2(4H)-oneEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
Two independent molecules comprise the crystallographic asymmetric unit in the title antiretroviral agent Efavirenz, C14H9ClF3NO2, and these have noteworthy differences in conformation. The major difference relates to the orientation of the 2-cyclopropylethynyl residue relative to the six-membered heterocycle: this approaches an orthogonal disposition in molecule a compared to a more flattened conformation in molecule b, the difference being reflected in the Oring—C—C—Cethyne torsion angles of 65 (4) and 159 (5)°, respectively. The independent molecules are connected via the eight-membered {...HNC (O)}2 amide sy...
Source: Acta Crystallographica Section E - November 21, 2009 Category: Chemistry Authors: Cuffini, S.Howie, R.A.Tiekink, E.R.T.Wardell, J.L.Wardell, S.M.S.V. Tags: organic compounds Source Type: journals

2-Isopropyl-5-methylcyclohexyl 5-acetoxy-1,3-oxathiolane-2-carboxylateEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
In the title compound, C16H26O5S, the oxathiolane ring adopts an envelope conformation, with the S atom 0.793 (3) Å out of the mean plane of the remaining four atoms. The cyclohexane ring of the menthol fragment adopts an almost ideal chair conformation, with all substituents in the equatorial positions. In the crystal, relatively strong, short and linear C—H...O hydrogen bonds link the molecules into the chains along [100] direction. The chains are packed into the crystal structure by means of weak dispersive interactions. Intermolecular C—H...S interactions are also observed. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 21, 2009 Category: Chemistry Authors: Dutkiewicz, G.Chidan Kumar, C.S.Yathirajan, H.S.Mayekar, A.N.Kubicki, M. Tags: organic compounds Source Type: journals

2,4-Dibromo-6-{(E)-[(R)-1-phenylethyl]iminomethyl}phenolEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
In the title Schiff base, C15H13Br2NO, the benzene and phenyl rings form a dihedral angle of 75.18 (13)°. The N=C bond length of 1.263 (6) Å is shorter than of the N—C bond [1.476 (5) Å], indicating a double bond. In the crystal, there is some pseudosymmetry. This occurs because most of the two molecules are centrosymmetrically related. The molecular structure is stabilized by intramolecular O—H...N hydrogen bonds. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 21, 2009 Category: Chemistry Authors: Xia, D.-G.Ye, Y.-F.Lei, K.-W. Tags: organic compounds Source Type: journals

Di-tert-butyl 2,2′-[(2-hydroxyethyl)azanediyl]diacetateEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
In the title compound, C14H27NO5, the hydroxy group and one of the acetate carbonyl O atoms are linked by an intramolecular O—H...O hydrogen bond, forming an eight-membered ring. This interaction gives rise to an asymmetric molecular conformation. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 21, 2009 Category: Chemistry Authors: Yang, Y.Zhu, L.Zhang, H. Tags: organic compounds Source Type: journals

2-Bromo-4-methylbenzonitrileEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
The title molecule, C8H6BrN, is almost planar (r.m.s. deviation for the non-H atoms = 0.008 Å). In the crystal, weak π–π stacking interactions [centroid–centroid separations = 3.782 (2) and 3.919 (2) Å] generate [100] columns of molecules. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 21, 2009 Category: Chemistry Authors: Shahid, M.Munawar, M.A.Nadeem, S.Nasir, W.Salim, M. Tags: organic compounds Source Type: journals

N-Cyclohexyl-N-propylbenzenesulfonamideEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
The title compound, C15H23NO2S, synthesized by N-methylation of cyclohexylamine sulfonamide with propyl iodide, is of interest as a precursor to biologically active sulfur-containing heterocyclic compounds. The cyclohexyl ring exists in the chair form and the dihedral angle between the ring plane of the benzene ring and that of the cyclohexyl ring is 50.13 (9)°. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 21, 2009 Category: Chemistry Authors: Haider, Z.Khan, I.U.Zia-ur-Rehman, M.Arshad, M.N. Tags: organic compounds Source Type: journals

(E)-2-(1,3-Diphenylallylidene)malononitrileEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
The title compound, C18H12N2, adopts an E conformation with the benzylidenemalononitrile and phenyl groups located on opposite sides of the C=C bond. The two phenyl rings are oriented at a dihedral angle of 62.49 (7)°. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 21, 2009 Category: Chemistry Authors: Kang, T.-R.Chen, L.-M. Tags: organic compounds Source Type: journals

β-Cyclodextrin 10.41-hydrateEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
The crystal structure of β-cyclodextrin, C42H70O35·10.41H2O, consists of truncated cone-shaped β-cyclodextrin molecules that are herringbone packed. The primary hydroxy groups form an intramolecular hydrogen-bonded array. The semipolar cavity of the cyclodextrin host is filled with water molecules, which show partial occupancy and disorder. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 21, 2009 Category: Chemistry Authors: Seidel, R.W.Koleva, B.B. Tags: organic compounds Source Type: journals

6-Bromopyridine-2-carboxamideEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
In the the title compound, C6H5BrN2O, an intramolecular N—H...N hydrogen bond generates an S(5) ring. In the crystal structure, intermolecular bifurcated N—H...(O,O) hydrogen bonds link the molecules, leading to sheets propagating in (100). (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 21, 2009 Category: Chemistry Authors: Xue, F.Ju, S. Tags: organic compounds Source Type: journals

2-(4-Pyridylmethoxy)phenolEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
In the crystal structure of the title compound, C12H11NO2, inversion-related molecules are linked into dimers by pairs of O—H...N hydrogen bonds between the hydroxy group and the pyridyl ring. In addition, a π–π interaction [with a centroid–centroid distance of 3.78 (1) Å] is found between the two pyridyl rings of the dimer. The benzene ring forms a dihedral angle of 71.6 (1)° with the pyridine ring (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 21, 2009 Category: Chemistry Authors: Zhang, Z.Li, Y.-J.Gao, X.-M. Tags: organic compounds Source Type: journals

Bis[2-(morpholinomethyl)phenyl]phenylphosphaneEmail this article to a colleague. Save this article to My Clippings. Discuss or comment on this article.
The title compound, C28H33N2O2P, contains a pentacoordinated P atom as a result of the weak N→P intramolecular interactions, with three C atoms, two N atoms and the lone pair arranged in a dicapped pseudo-tetrahedral geometry. The morpholine rings exhibit an almost ideal chair conformation. In the crystal, two weak C—H...O hydrogen-bond interactions link the molecules in layers stacked along the a axis; there are no further interactions between the layers. (Source: Acta Crystallographica Section E)
Source: Acta Crystallographica Section E - November 21, 2009 Category: Chemistry Authors: Covaci, A.Varga, R.A.Silvestru, C. Tags: organic compounds Source Type: journals