Results 11 to 20 of about 576,288 (258)
Acta Crystallographica Section E: Crystallographic Communications, 2021 The conformation about the central benzene ring in the molecule of (I), C20H19N3O2, is partially determined by an intramolecular N—H...O hydrogen bond. In the crystal, chains parallel to the c axis are generated by intermolecular N—H...O hydrogen bonds ...
Shaaban K. Mohamed +5 more
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Methyl 2-(4-ferrocenylbenzamido)thiophene-3-carboxylate and ethyl 2-(4-ferrocenylbenzamido)-1,3-thiazole-4-acetate, a unique ferrocen [PDF]
, 2005 The conformations and hydrogen bonding in the thiophene and thiazole title compounds, [Fe(C₅H₅)(C₂₀H₁₄NO₃S)], (I), and [Fe(C₅H₅)(C₁₉H₁₇N₂O₃S)], (II), are discussed.
Alley, Steven +4 more
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Allylammonium hydrogen oxalate hemihydrate
Acta Crystallographica Section E, 2014 In the title hydrated molecular salt, C3H8N+·C2HO4−·0.5H2O, the water O atom lies on a crystallographic twofold axis. The C=C—C—N torsion angle in the cation is 2.8 (3)° and the dihedral angle between the CO2 and CO2H planes in the anion is 1.0 (4)°.
Błażej Dziuk +2 more
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Acta Crystallographica Section E: Crystallographic Communications, 2023 In the title compound, C22H19NO5S·C2D6OS, the central six-membered ring has a slightly distorted boat conformation, while the fused pyrrolidine ring adopts an envelope conformation. These conformations are stabilized by O—H...O hydrogen bonds between the
Gunay Z. Mammadova +7 more
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3-Fluoro-N-(3-fluorobenzoyl)-N-(2-pyridyl)benzamide [PDF]
, 2009 The title compound, C19H12F2N2O2, a 2:1 product of the reaction of 3-fluorobenzoylchloride and 2-aminopyridine crystallizes with a disordered 3-fluorobenzene ring adopting two conformations [ratio of occupancies 0.959 (4):0.041 (4)].
Donnelly, Katie, Gallagher, John F.
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Ethyl 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetate
IUCrData, 2017 The five-membered ring of the title compound, C19H18N2O4, adopts an envelope conformation. In the crystal, pairwise N—H...O hydrogen bonds form centrosymmetric dimers which are connected into chains parallel to the c-axis direction by pairwise C—H...O ...
Youssef Ramli +5 more
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The effect of protein backbone hydration on the amide vibrations in Raman and Raman optical activity spectra [PDF]
, 2019 Raman and specifically Raman optical activity (ROA) spectroscopy are very sensitive to the solution structure and conformation of biomolecules. Because of this strong conformational sensitivity, density functional theory (DFT) calculations are often used
Bultinck, Patrick +2 more
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Crystal structure of (5-chloro-2-hydroxyphenyl)(3-methylisoxazolo[5,4-b]pyridin-5-yl)methanone
Acta Crystallographica Section E: Crystallographic Communications, 2015 In the title compound, C14H9ClN2O3, the fused pyridine and isoxazole rings are approximately planar, making a dihedral angle of 1.14 (16)°. The molecule is twisted with the benzene ring and the mean plane through the fused pyridine-isoxazole ring system ...
Rajamani Raja +3 more
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1-(4-Chlorophenyl)-3-(2,4-dichlorobenzoyl)thiourea [PDF]
, 2009 The title compound, C14H9Cl3N2OS, has bond lengths and angles which are quite typical for thiourea compounds of this class. The molecule exists in the solid state in its thione form with typical thiourea C=S and C=O bond lengths, as well as shortened C-N
M. Khawar Rauf +17 more
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2-Amino-4-methoxy-6-methylpyrimidin-1-ium trifluoroacetate
IUCrData, 2016 In the title molecular salt, C6H10N3O+·C2F3O2−, the pyrimidinium cation is essentially planar, with a maximum deviation of 0.042 (3) Å for all non-H atoms.
Muthaiah Jeevaraj +5 more
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