Results 31 to 40 of about 741,265 (208)
(2E)-1-(3,5-Dihydroxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Acta Crystallographica Section E, 2014 In the title compound, C16H14O4, the benzene rings are inclined to one another by 4.91 (7)°. The conformation about the C=O and C=C bonds is trans and cis, respectively.
K. S. Ezhilarasi +4 more
doaj +1 more source
3-(2-Hydroxyphenyl)-5-(2-methoxyphenyl)-1H-pyrazole [PDF]
, 2008 The title compound, C16H14N2O2, was derived from 1-(2-hydroxyphenyl)-3-(2-methoxyphenyl)propane-1,3-dione. The molecule is essentially planar (r.m.s. deviation for all non-H atoms = 0.089 Å).
Ahmad +5 more
core +1 more source
IUCrData, 2016 In the title molecular salt, C8H20N+·C42H48NO4S4−, the conformation of the anionic tetrathiacalix[4]arene, which is cone-shaped, is primarily determined by intramolecular O—H...O hydrogen bonds.
Omran A. Omran +4 more
doaj +1 more source
(E)-4-(2-Chloro-1-hydroxy-2,6,6-trimethylcyclohexyl)but-3-en-2-one
Acta Crystallographica Section E, 2012 In the title molecule, C13H21ClO2, there is an intramolecular C—H...Cl hydrogen bond. The conformation about the C=C bond is E and the six-membered ring has a chair conformation.
Shan Liu, Xiao-Yan Yang, Yu-Ling Zhang
doaj +1 more source
2,6-Diamino-4-chloropyrimidinium 4-carboxybutanoate [PDF]
, 2014 In the title molecular salt, C4H6ClN4+.C5H7O4 -, the cation is essentially planar, with a maximum deviation of 0.037 (1) A ° for all non-H atoms. The anions are self-assembled through O—H...O hydrogen bonds, forming a supramolecular zigzag chain with ...
Arshad, Suhana +5 more
core +2 more sources
Crystal structure of ethyl 2-({[(4Z)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}amino)acetate
Acta Crystallographica Section E, 2014 The title compound, C14H15N3O4, is nearly planar, the dihedral angle between the planes of the phenyl and pyrazolidine rings being 1.13 (7) Å, and that between the plane of the pyrazolidine ring and the mean plane of the side chain [C—N—C–C(=O)—O; r.m.s.
Shaaban K. Mohamed +4 more
doaj +1 more source
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
core +2 more sources
1H-Benzo[d]imidazol-3-ium (Z)-3-carboxyprop-2-enoate
IUCrData, 2016 In the anion of the title molecular salt, C7H7N2+.C4H3O4−, an O—H...O hydrogen bond generates an S(7) graph-set motif while a pair of intermolecular N—H...O and C—H...O hydrogen bonds generate an R44(10) ring-motif.
M. Amudha +3 more
doaj +1 more source
Crystal structure of (S)-2-amino-2-methylsuccinic acid
Acta Crystallographica Section E: Crystallographic Communications, 2015 The title compound, C5H9NO4, crystallized as a zwitterion. There is an intramolecular N—H...O hydrogen bond involving the trans-succinic acid and the ammonium group, forming an S(6) ring motif.
Isao Fujii
doaj +1 more source
Accurate Redeterminations of 1,1'-Dibenzoylferrocene and (4-Nitrophenyl)ferrocene [PDF]
, 1997 In the solid state, molecules of 1,1'-dibenzoylferrocene, [Fe(C₁₂H₉O)₂], (I), are linked to form infinite chains in the [100] direction via (cyclopentadienyl)C-H...O hydrogen bonds [C...O 3.354 (4) Å].
Ahmed, S. Zaka +4 more
core +1 more source