Results 31 to 40 of about 590,684 (259)
Acta Crystallographica Section E: Crystallographic Communications, 2020 Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions have been prepared and structurally characterized. In the isostructural 4-chlorobenzoate and 4-bromobenzoate salts, C11H17N2O+·C7H4ClO2− (I) and C11H17N2O+·C7H4BrO2− (II), and the
Chayanna Harish Chinthal +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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Crystal structure of bis(diisopropylammonium) cis-diiodidobis(oxolato-κ2O1,O2)stannate(IV)
Acta Crystallographica Section E: Crystallographic Communications, 2018 In the title compound, (iPr2NH2)2[SnI2(C2O4)2], which was prepared by reacting (iPr2NH2+)2·C2O42− with SnI4 in a 2:1 molar ratio in a mixed ethanol–acetonitrile solvent, the Sn atom is coordinated by two chelating oxalate ions and two iodide ions, with ...
Bougar Sarr +3 more
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Pseudopolymorphism in Brucine: Brucine-Water (1/2), The Third Crystal Hydrate of Brucine [PDF]
, 2007 The structure of the third pseudopolymorphic hydrate of brucine, brucine-water (1/2) [systematic name 2,3-dimethoxystrychnidin-10-one-water (1/2)], C23H26N2O4 . 2H2O, has been determined at 130 K.
Smith, Graham +2 more
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Crystal structure of 2-(4-acetylanilino)-2-oxoethyl 3-(4-hydroxyphenyl)propionate
Acta Crystallographica Section E: Crystallographic Communications, 2016 In the title compound, C19H19NO5, the amide carbonyl O atom is positioned anti to the other two carbonyl O atoms. The 4-hydroxyhydrocinnamate fragment is disordered over two positions with an occupancy ratio of 0.729 (12):0.271 (12).
Zaman Ashraf +3 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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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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Diethyl 4-(1H-imidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
IUCrData, 2020 In the title compound, C16H21N3O4, the 1,4-dihydropyridine ring adopts a flattened boat conformation, with the imidazole substituent in an axial orientation [dihedral angle between ring planes = 82.9 (6)°].
Miri Yoo, Dongsoo Koh
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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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3-(2-Methoxyphenyl)-2,3-dihydro-1H-benzo[f]chromen-1-one
IUCrData, 2020 In the title compound, C20H16O3, the 2-methoxyphenyl ring is tilted by 50.67 (3)° with respect to the naphthyl ring system. The central pyran ring has an envelope conformation with the C atom bearing the pendant ring system as the flap. The methoxy group
Jiha Sung
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