Results 11 to 20 of about 39,583,625 (289)

Planar versus non-planar: The important role of weak C-H⋯O hydrogen bonds in the crystal structure of 5-methyl-salicyl-aldehyde. [PDF]

Acta Crystallogr E Crystallogr Commun, 2017
Baisch U, Scicluna MC, Näther C, Vella-Zarb L.   +3 more
europepmc   +3 more sources

Steric repulsion and supra-molecular assemblies via a two-dimensional plate by C-H⋯O hydrogen bonds in two closely related 2-(benzo-furan-2-yl)-2-oxoethyl benzoates. [PDF]

Acta Crystallogr E Crystallogr Commun, 2017
Then LY, Chidan Kumar CS, Kwong HC, Win YF, Mah SH, Quah CK, Naveen S, Warad I.   +7 more
europepmc   +3 more sources

Computational Analyses of Protein-Ligand Interactions [PDF]

, 2010
Protein-ligand interactions have a central role in all processes in living systems. A comprehensive understanding of protein interactions with small molecules is of great interest as it provides opportunities for understanding protein function and ...
Haider, Kamran
core   +7 more sources

Crystal structure and Hirshfeld surface analysis of ethyl 2-[9-(2-hydroxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,4a,5,6,7,8a,9,9a,10,10a-dodecahydroacridin-10-yl]acetate

Acta Crystallographica Section E: Crystallographic Communications, 2021
In the title compound, C27H33NO5, a 3,3,6,6-tetramethyltetrahydroacridine-1,8-dione ring system carries an ethyl acetate substituent on the acridine N atom and an o-hydroxyphenyl ring on the central methine C atom of the dihydropyridine ring. The benzene
Omyma A. A. Abd Allah, Manpreet Kaur, Mehmet Akkurt, Shaaban K. Mohamed, Jerry P. Jasinski, Sahar M. I. Elgarhy   +5 more
doaj   +1 more source

Crystal structure and Hirshfeld surface analysis of ethyl (3E)-5-(4-fluorophenyl)3-{[(4-methoxyphenyl)formamido]imino}-7-methyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate 0.25-hydrate

Acta Crystallographica Section E: Crystallographic Communications, 2022
In the title compound, C24H23FN4O4S·0.25H2O, the dihydropyrimidine ring is distinctly non-planar, with the flap C atom deviating by 0.297 (2) Å from the least-squares plane.
Shaaban K. Mohamed, Joel T. Mague, Mehmet Akkurt, Abdallah M. Alfayomy, Fatma A. F. Ragab, Mokhtar A. Abd ul-Malik   +5 more
doaj   +1 more source

Crystal structure of 1,2,3,4-di-O-methylene-α-d-galactopyranose

Acta Crystallographica Section E: Crystallographic Communications, 2015
The title compound, C8H12O6, was synthesized by deacetylation of 6-acetyl-1,2,3,4-di-O-methylene-α-d-galactose with sodium methoxide. The central part of the molecule consists of a six-membered C5O pyranose ring with a twist-boat conformation. Both fused
Ioannis Tiritiris, Stefan Tussetschläger, Willi Kantlehner   +2 more
doaj   +1 more source

3,3'-Dibutanoyl-1,1'-(o-phenyl­ene)dithio­urea [PDF]

, 2010
The mol­ecular conformation of the title compound, C16H22N4O2S2, is stabilized by two intramolecular N—H ... O hydrogen bonds. The crystal packing shows N—H ... O and N—H ...
Bolte, Michael, Naeem Abbas, Hummera Rafique, Rafique, Hummera, Michael Bolte, Abbas, Naeem, Saeed, Aamer, Aamer Saeed   +7 more
core   +1 more source

Cystal structre of 5-hydroxy-2-nitrobenzaldehyde

Acta Crystallographica Section E: Crystallographic Communications, 2015
In the title compound, C7H5NO4, the nitro group and the aldehyde group are inclined to the benzene ring by 16.6 (3) and 15.6 (3)°, respectively. In the crystal, molecules are linked via O—H...O hydrogen bonds, forming chains along [100].
Huma Bano, Sammer Yousuf
doaj   +1 more source

Crystal structure of ethyl 4-(2,4-dichlorophenyl)-2-methyl-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carboxylate

Acta Crystallographica Section E: Crystallographic Communications, 2015
In the title compound, C20H16Cl2N2O2S, the pyrimidine ring has a screw-boat conformation. The attached dichlorophenyl ring is twisted at an angle of 89.29 (13)° with respect to the pyrimidine ring mean plane.
T. Sankar, S. Naveen, N. K. Lokanath, K. Gunasekaran   +3 more
doaj   +1 more source

Methyl 2-oxo-2H-chromene-3-carboxylate [PDF]

, 2012
The title compound, C11H8O4, features an almost planar molecule (r.m.s. deviation = 0.033 Å for all non-H atoms). In the crystal, the molecules are linked via C-H...O hydrogen bonds, forming two-dimensional networks lying parallel to (1-21)
Bolte, Michael, Arshad, Muhammad, Michael Bolte, Aalia Ibrar, Muhammad Arshad, Ibrar, Aalia, Saeed, Aamer, Aamer Saeed   +7 more
core   +1 more source