23,618 results match your criteria Acta Crystallographica Section E-Structure Reports Online[Journal]


Crystal structure of 1-(piperidin-1-yl)butane-1,3-dione.

Acta Crystallogr Sect E Struct Rep Online 2014 Dec 29;70(Pt 12):o1297. Epub 2014 Nov 29.

University Koblenz-Landau, Institute for Integrated Natural Sciences, Universitätsstrasse 1, 56070 Koblenz, Germany.

In the title compound, C9H15NO2, the piperidine ring exhibits a chair conformation. The butane-dione subunit exhibits a conformation with the ketone C atom in an eclipsed position with respect to the amide carbonyl group. In the crystal, a two-dimensional layered arrangement is formed by hydrogen bonds of the C-H⋯O type between the methyl group and the exocyclic methyl-ene unit as donor sites and the amide carbonyl O atom as the acceptor of a bifurcated hydrogen bond. Read More

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December 2014

Crystal structure of methyl 1-methyl-3,5-diphenyl-7-tosyl-3,6,7,11b-tetra-hydro-pyrazolo-[4',3':5,6]pyrano[3,4-c]quinoline-5a(5H)-carboxyl-ate.

Acta Crystallogr Sect E Struct Rep Online 2014 Dec 29;70(Pt 12):o1295-6. Epub 2014 Nov 29.

Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India.

In the title compound, C35H31N3O5S, the piperidine ring adopts an envelope conformation, with the methine C atom as the flap, and the pyran ring adopts a sofa conformation. The mean planes of these two rings are almost normal to one another, making a dihedral angle of 85.96 (5)°. Read More

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December 2014

Crystal structure of 4-amino-1-(4-methyl-benz-yl)pyridinium bromide.

Acta Crystallogr Sect E Struct Rep Online 2014 Dec 26;70(Pt 12):o1293-4. Epub 2014 Nov 26.

X-ray Crystallography Division, CSIR-Indian Institute of Chemical Technology, Uppal Road, Tarnaka, Hyderabad 500 607, Andhra Pradesh, India.

The title mol-ecular salt, C13H15N2 (+)·Br(-), crystallized with two independent ion pairs (A and B) in the asymmetric unit. In the cations, the planes of the pyridine and benzene rings are inclined to one another by 79.32 (8) and 82. Read More

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December 2014

Crystal structure of (Z)-3-benz-yloxy-6-[(2-hy-droxy-anilino)methyl-idene]cyclo-hexa-2,4-dien-1-one.

Acta Crystallogr Sect E Struct Rep Online 2014 Dec 26;70(Pt 12):o1292. Epub 2014 Nov 26.

Unité de Recherche de Chimie de l'Environnement et Moléculaire Structurale (CHEMS), Faculté des Sciences Exactes, Département de Chimie, Université Constantine 1, Algeria.

In the title compound, C20H17NO3, the methyl-idene-cyclo-hexa-2,4-dienone moiety is approximately planar [maximum deviation = 0.0615 (10) Å] and is oriented at diherdral angles of 69.60 (7) and 1. Read More

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December 2014

Crystal structure of bis-(1-benzyl-1H-1,2,4-triazole) perchloric acid monosolvate.

Acta Crystallogr Sect E Struct Rep Online 2014 Dec 26;70(Pt 12):o1290-1. Epub 2014 Nov 26.

Department of Chemistry and Chemical Engineering, Lvliang University, Lvliang, Shanxi 033001, People's Republic of China.

The title compound, 2C9H9N3·HClO4, was prepared by reaction of 1-benzyl-1H-1,2,4-triazole and HClO4 in ethanol at room temperature. The asymmetric unit consists of two mol-ecules of 1-benzyl-1H-1,2,4-triazole and one of HClO4 mol-ecule. The benzene and triazole rings make dihedral angles of 85. Read More

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December 2014

Crystal structure of 2-(di-phenyl-phos-phanyl)phenyl 4-(hy-droxy-meth-yl)benzoate.

Acta Crystallogr Sect E Struct Rep Online 2014 Dec 26;70(Pt 12):o1288-9. Epub 2014 Nov 26.

Universität Rostock, Institut für Chemie, Anorganische Festkörperchemie, Albert-Einstein-Str. 3a, D-18059 Rostock, Germany.

The title compound, C26H21O3P, was obtained as by-product due to the hydrolysis of the desired tosyl-ated compound. The dihedral angles between the three aromatic rings attached to the P atom lie in the range 78.1 (1)-87. Read More

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December 2014

Crystal structure of ethyl 4-[(1H-pyrazol-1-yl)meth-yl]benzoate.

Acta Crystallogr Sect E Struct Rep Online 2014 Dec 26;70(Pt 12):o1287. Epub 2014 Nov 26.

School of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.

In the title mol-ecule, C13H14N2O2, the dihedral angle between the pyrazole and benzene ring mean planes is 76.06 (11)°, and the conformation of the ethyl side chain is anti [C-O-C-C = -175.4 (3)°]. Read More

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December 2014

Crystal structure of (-)-(2R,3S,4R,5R)-5-(1,3-di-thian-2-yl)-3-methyl-1-(triiso-propyl-sil-yloxy)hexane-2,4-diol.

Acta Crystallogr Sect E Struct Rep Online 2014 Dec 21;70(Pt 12):o1285-6. Epub 2014 Nov 21.

University of Puerto Rico, Rio Piedras Campus, Department of Chemistry, PO Box 23346, San Juan, 000936-8377, Puerto Rico.

The title compound, C20H42O3S2Si, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. They consist of syn,anti,anti-stereo-tetrads with a 1,3-di-thiane motif and a primary alcohol protected as the triisopropyl silyl ether. The 1,3-di-thiane ring adopts a chair conformation, while the rest of each mol-ecule displays a common zigzag conformation. Read More

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December 2014

Crystal structure of 9-butyl-3-(9-butyl-9H-carbazol-3-yl)-9H-carbazole.

Acta Crystallogr Sect E Struct Rep Online 2014 Dec 21;70(Pt 12):o1283-4. Epub 2014 Nov 21.

Department of Physics & International Research Centre, Kalasalingam University, Krishnankoil 626 126, India.

In the title carbazole derivative, C32H32N2, the mol-ecule resides on a crystallographic twofold axis, which runs through the central C-C bond. The carbazole ring system is almost planar, with a maximum deviation of 0.041 (1) Å for one of the ring-junction C atoms. Read More

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December 2014

Crystal structure of 4,6-bis-[(E)-4-bromo-styr-yl]-2-(butyl-sulfan-yl)pyrimidine.

Acta Crystallogr Sect E Struct Rep Online 2014 Dec 21;70(Pt 12):o1282. Epub 2014 Nov 21.

China-Australia Joint Research Center for Functional Molecular Materials, Scientific Research Academy & School of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang 212013, People's Republic of China.

In the title compound, C24H22Br2N2S, the dihedral angles between the central pyrimidine ring and the pendant bromo-benzene rings are 11.02 (11) and 13.20 (12)°. Read More

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December 2014

Crystal structure of 1-methyl-4-methyl-sulfanyl-1H-pyrazolo-[3,4-d]pyrimidine.

Acta Crystallogr Sect E Struct Rep Online 2014 Dec 21;70(Pt 12):o1281. Epub 2014 Nov 21.

Laboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V, Avenue Ibn Battouta, BP 1014, Rabat, Morocco.

In the title compound, C7H8N4S, the non-H atoms of the pyrazolo-[3,4-d]pyrimidine ring system and the methyl-sulfanyl group lie on a crystallographic mirror plane. In the crystal, mol-ecules are linked via a number of π-π inter-actions [centroid-centroid distances vary from 3.452 (7) to 3. Read More

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December 2014

Crystal structure of 2-phenyl-ethyl-amin-ium 4-nitro-phenolate monohydrate.

Acta Crystallogr Sect E Struct Rep Online 2014 Dec 21;70(Pt 12):o1280. Epub 2014 Nov 21.

Department of Physics, CPCL Polytechnic College, Chennai 600 068, India.

In the title hydrated mol-ecular salt, C8H12N(+)·C6H4NO3 (-)·H2O, the conformation of the side chain in the cation is anti [C-C-C-N = 179.62 (12)°] and the dihedral angle between the aromatic ring and the nitro group in the anion is 3.34 (11)°. Read More

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December 2014

Crystal structure of 4-meth-oxy-quinazoline.

Acta Crystallogr Sect E Struct Rep Online 2014 Dec 21;70(Pt 12):o1279. Epub 2014 Nov 21.

School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT, Wales.

The title compound, C9H8N2O, is almost planar, with the C atom of the meth-oxy group deviating from the mean plane of the quinazoline ring system (r.m.s. Read More

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December 2014

Crystal structure of a second polymorph of tetra-kis-(pyridin-2-yl)methane.

Acta Crystallogr Sect E Struct Rep Online 2014 Dec 21;70(Pt 12):o1277-8. Epub 2014 Nov 21.

Department of Chemistry, Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043, Japan.

A second polymorph of the title compound, C21H16N4, is reported. The original polymorph was solved by our group [Matsumoto et al. (2003 ▶). Read More

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December 2014

Crystal structure of methyl 2-(2H-1,3-benzodioxol-5-yl)-7,9-di-bromo-8-oxo-1-oxa-spiro-[4.5]deca-2,6,9-triene-3-car-boxyl-ate.

Acta Crystallogr Sect E Struct Rep Online 2014 Dec 21;70(Pt 12):o1275-6. Epub 2014 Nov 21.

Laboratory of Synthesis of Natural Products and Drugs, Institute of Chemistry, University of Campinas, PO Box 6154 - 13083-970, Campinas, SP, Brazil.

The title compound, C18H12Br2O6, was synthesized from Morita-Baylis-Hillman adducts. It incorporates the bromin-ated spiro-hexa-dienone moiety typically exhibited by compounds of this class that exhibit biological activity. Both the brominated cyclo-hexa-dienone and the central five-membered rings are nearly planar (r. Read More

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December 2014

Crystal structure of 2,2,3,3-tetra-methyl-1,1,1,4,4,4-hexa-phenyl-tetra-germane.

Acta Crystallogr Sect E Struct Rep Online 2014 Dec 21;70(Pt 12):o1273-4. Epub 2014 Nov 21.

Department of Chemistry, Moscow State University, 119991 Moscow, Russian Federation.

The mol-ecule of the title compound, C40H42Ge4, lies with its central Ge-Ge bond on an inversion centre giving rise to a zigzag backbone of four tetra-hedrally coordinated Ge atoms. The symmetrically independent Ge-Ge bonds are slightly shorter than in other organo-tetra-germanes whereas the Ge-CPh (Ph = phen-yl) and Ge-CMe (Me = meth-yl) distances have their usual values. In the crystal, (010) layers of Ph6Me4Ge4 mol-ecules with a parallel orientation of the Ge4 backbone exist, held together by van der Waals forces only. Read More

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December 2014

Crystal structure of 2-[(di-chloro-methane)sulfon-yl]pyridine.

Acta Crystallogr Sect E Struct Rep Online 2014 Dec 21;70(Pt 12):o1272. Epub 2014 Nov 21.

College of Chemistry and Chemical Engineering, Shanghai University of Engineering Science, 333 Longteng Road, Shanghai, People's Republic of China.

The asymmetric unit of the title compound, C6H5Cl2NO2S, contains two mol-ecules with similar conformations (r.m.s. Read More

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December 2014

Crystal structure of ethyl 2-(2-fluoro-benzyl-idene)-5-(4-fluoro-phen-yl)-7-methyl-3-oxo-2,3-di-hydro-5H-1,3-thia-zolo[3,2-a]pyrimidine-6-carb-oxy-late.

Acta Crystallogr Sect E Struct Rep Online 2014 Dec 19;70(Pt 12):o1270-1. Epub 2014 Nov 19.

Department of Studies in Chemistry, Bangalore University, Bangalore 560 001, Karnataka, India.

In the title mol-ecule, C23H18F2N2O3S, the 4-fluoro-substituted and 2-fluoro-substituted benzene rings form dihedral angles of 88.16 (8) and 23.1 (1)°, respectively, with the thia-zole ring. Read More

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December 2014

Crystal structure of (Z)-3-{3-(4-chloro-phen-yl)-2-[(4-chloro-phen-yl)imino]-2,3-di-hydro-thia-zol-4-yl}-2H-chromen-2-one.

Acta Crystallogr Sect E Struct Rep Online 2014 Dec 19;70(Pt 12):o1268-9. Epub 2014 Nov 19.

Department of Chemistry, National Institute of Technology, Warangal 506 004, Telangana, India.

In the title compound, C24H14Cl2N2O2S, the 2H-chromene ring system is approximately planar, with a maximum deviation of 0.025 (2) Å. The thia-zole ring is almost planar, with an r. Read More

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December 2014

Crystal structure of propaquizafop.

Acta Crystallogr Sect E Struct Rep Online 2014 Dec 19;70(Pt 12):o1266-7. Epub 2014 Nov 19.

Department of Chemistry and Research Institute of Natural Sciences, Gyeongsang National University, Jinju 660-701, Republic of Korea.

The title compound, C22H22ClN3O5 {systematic name: 2-(propan-2-yl-idene-amino-oxy)ethyl (R)-2-[4-(6-chloro-quin-oxalin-2-yl-oxy)phen-oxy]propionate}, is a herbicide. The asymmetric unit comprises two independent mol-ecules in which the dihedral angles between the phenyl ring and the quinoxaline ring plane are 75.93 (7) and 82. Read More

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December 2014

Crystal structure of fenpropathrin.

Acta Crystallogr Sect E Struct Rep Online 2014 Dec 19;70(Pt 12):o1265. Epub 2014 Nov 19.

Department of Chemistry and Research Institute of Natural Sciences, Gyeongsang National University, Jinju 660-701, Republic of Korea.

In the title compound [systematic name: cyano-(3-phen-oxy-phen-yl)methyl 2,2,3,3-tetra-methyl-cyclo-propane-carboxyl-ate], C22H23NO3, which is the pyrethroid insecticide fenpropathrin, the dihedral angle between the cyclo-propane ring plane and the carboxyl-ate group plane is 88.25 (11)°. The dihedral angle between the benzene and phenyl rings in the phen-oxy-benzyl group is 82. Read More

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December 2014

Crystal structure of (2S,4S)-5,5-dimethyl-2-(pyridin-2-yl)-1,3-thia-zolidine-4-carb-oxy-lic acid.

Acta Crystallogr Sect E Struct Rep Online 2014 Dec 15;70(Pt 12):o1264. Epub 2014 Nov 15.

Department of Chemistry, Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043, Japan ; CREST, Japan Science and Technology Agency, Toyonaka, Osaka 560-0043, Japan.

In the title compound, C11H14N2O2S, the thia-zolidine ring has an envelope conformation with the C atom bonded to the carb-oxy-lic acid group at the flap. Two C atoms of the thia-zolidine ring adopt S conformations. In the crystal, O-H⋯N hydrogen bonds between the amine and carb-oxy-lic acid groups construct a helical chain structure along the a-axis direction. Read More

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December 2014

Crystal structure of 2-(4-methyl-benzyl-idene)malono-nitrile.

Acta Crystallogr Sect E Struct Rep Online 2014 Dec 15;70(Pt 12):o1263. Epub 2014 Nov 15.

Laboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V-Agdal, Avenue Ibn Battouta, BP 1014, Rabat, Morocco.

The mol-ecule of the title compound, C11H8N2, is approximately planar (r.m.s. Read More

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December 2014

Crystal structure of 4-bromo-N-(2-hydroxy-phen-yl)benzamide.

Acta Crystallogr Sect E Struct Rep Online 2014 Dec 15;70(Pt 12):o1261-2. Epub 2014 Nov 15.

Instituto de Física de São Carlos, IFSC, Universidade de São Paulo, USP, São Carlos, SP, Brazil.

In the title compound, C13H10BrNO2, the mean plane of the non-H atoms of the central amide C-N-C(=O)-C fragment (r.m.s. Read More

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December 2014

Crystal structure of (2-benzyl-oxy-pyrimidin-5-yl)boronic acid.

Acta Crystallogr Sect E Struct Rep Online 2014 Dec 15;70(Pt 12):o1259-60. Epub 2014 Nov 15.

Physical Chemistry Department, Faculty of Chemistry, Warsaw University of Technology, Noakowskiego 3, 00-664 Warsaw, Poland.

The boronic acid group in the title compound, C11H11BN2O3, adopts a syn-anti conformation and is almost coplanar with the aromatic rings , making a dihedralangle of 3.8 (2)°. In the crystal, adjacent mol-ecules are linked via pairs of O-H⋯O inter-actions, forming centrosymmetric dimers with an R 2 (2)(8) motif, which have recently been shown to be energetically very favorable (Durka et al. Read More

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December 2014

Crystal structure of (4R,5S)-4-methyl-3-methyl-sulfinyl-5-phenyl-1,3-oxazolidin-2-one.

Acta Crystallogr Sect E Struct Rep Online 2014 Dec 15;70(Pt 12):o1257-8. Epub 2014 Nov 15.

University of Notre Dame, Department of Chemistry and Biochemistry, 235 Nieuwland Science Hall, Notre Dame, IN 46556-5670, USA.

The absolute structure of the chiral asymmetric indole precursor title compound, C11H13NO3S, was confirmed by refinement of the Flack and Hooft parameters and is that expected based on the starting materials for the synthesis. The phenyl group subtends a dihedral angle of 56.40 (5)° with the mean plane of the oxazolidinone ring, which adopts an envelope conformation, with the C atom bearing the methyl group as the flap. Read More

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December 2014

Crystal structure of 3-{1-[(1-allyl-1H-indazol-6-yl)amino]-ethyl-idene}-6-methyl-2H-pyran-2,4(3H)-dione.

Acta Crystallogr Sect E Struct Rep Online 2014 Dec 15;70(Pt 12):o1256. Epub 2014 Nov 15.

Laboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V-Agdal, Avenue Ibn Battouta, BP 1014, Rabat, Morocco.

In the title compound, C18H17N3O3, the dihedral angle between the planes of the indazole ring system [maximum deviation = 0.012 (1) Å] and the pyran-2,4-dione ring is 54.03 (6)°. Read More

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December 2014

Crystal structure of 4-(3-carb-oxy-pro-pan-amido)-2-hy-droxy-benzoic acid mono-hydrate.

Acta Crystallogr Sect E Struct Rep Online 2014 Dec 15;70(Pt 12):o1254-5. Epub 2014 Nov 15.

Department of Chemistry, University of Sargodha, Sargodha, Pakistan.

In the title hydrate, C11H11NO6·H2O, the organic mol-ecule is approximately planar (r.m.s. Read More

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December 2014

Crystal structure of 1-(2,4-di-methyl-phen-yl)-2-(4-tri-methyl-silyl-1H-1,2,3-triazol-1-yl)ethanone.

Acta Crystallogr Sect E Struct Rep Online 2014 Dec 12;70(Pt 12):o1253. Epub 2014 Nov 12.

Department of Studies in Chemistry, Bangalore University, Bangalore 560 001, India.

The asymmetric unit of the title compound, C15H21N3OSi, contains two mol-ecules with similar conformations (r.m.s. Read More

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December 2014

Crystal structure of 2-nitro-N-(5-nitro-1,3-thia-zol-2-yl)benzamide.

Acta Crystallogr Sect E Struct Rep Online 2014 Dec 12;70(Pt 12):o1252. Epub 2014 Nov 12.

Instituto de Física de São Carlos, IFSC, Universidade de São Paulo, USP, São Carlos, SP, Brazil.

In the title compound, C10H6N4O5S, the mean plane of the non-H atoms of the central amide fragment C-N-C(=O)-C [r.m.s. Read More

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December 2014