Results 1 to 10 of about 741,246 (189)

N⁺-C-H···O Hydrogen bonds in protein-ligand complexes. [PDF]

Sci Rep, 2019
In the context of drug design, C-H···O hydrogen bonds have received little attention so far, mostly because they are considered weak relative to other noncovalent interactions such as O-H···O hydrogen bonds, π/π interactions, and van der Waals ...
Itoh Y, Nakashima Y, Tsukamoto S, Kurohara T, Suzuki M, Sakae Y, Oda M, Okamoto Y, Suzuki T.   +8 more
europepmc   +2 more sources

Crystal structure of diaquatris(1-ethyl-1H-imidazole- jN3)(sulfato-jO)nickel(II) [PDF]

, 2016
In the title complex, [Ni(SO4)(C5H8N2)3(H2O)2], the NiII ion is coordinated by three facial 1-ethyl-1H-imidazole ligands, one monodentate sulfate ligand and two water molecules in a slightly distorted octahedral coordination environment.
Domján, Attila, Fodor, Csaba, Holzbauer, Tamás   +2 more
core   +28 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

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, Michael Bolte, Amin Badshah, Allen, Baily, Blessing, Khawar Rauf, Khawar Rauf, Khawar Rauf, Khawar Rauf, Koch, Krishnamurthy, Maryanoff, Namgun, Patil, Sheldrick, Spek, Upadlgaya   +17 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

Four related benzazepine derivatives in a reaction pathway leading to a benzazepine carboxylic acid : hydrogen-bonded assembly in zero, one, two and three dimensions [PDF]

, 2014
The authors thank ‘Centro de Instrumentacion Cientıfico-Tecnica of Universidad de Jaen’ and the staff for data collection. AP, SAG and CMS thank Colciencias for financial support (grant No. 1102–521–28229). JC thanks the Consejerıa de Innovacion, Ciencia
Cobo, J., Glidewell, C., Guerrero, S.A., Palma, A., Sanabría, C.M.   +4 more
core   +2 more sources

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

Hydrogen-bonding interactions in the crystalline-phase structures of cinnamic acid derivatives [PDF]

, 1999
Secondary interactions responsible for the crystalline-phase structures of various cinnamic acids and cinnamic acid esters drawn from the Cambridge Structural Database were studied with the help of the Cerius package implemented on an SGI workstation ...
Pálinkó, István
core   +1 more source