Results 81 to 90 of about 288,064 (168)

Methyl 2-allyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide

Acta Crystallographica Section E, 2009
In the title compound, C13H13NO5S, the thiazine ring adopts a distorted half-chair conformation. Intramolecular O—H...O and C—H...O hydrogen bonds give rise to two six-membered hydrogen bonded rings.
Islam Ullah Khan, Muhammad Zia-ur-Rehman, Muhammad Nadeem Arshad   +2 more
doaj   +1 more source

The occurrence of C-H...O hydrogen bonds in alpha-helices and helix termini in globular proteins [PDF]

, 2004
A comprehensive database analysis of C-H...O hydrogen bonds in 3124 \alpha helices and their corresponding helix termini has been carried out from a nonredundant data set of high-resolution globular protein structures resolved at better than 2.0 Angstrom
Ramakumar, S, Manikandan, K
core   +1 more source

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  

C−H···Carboxylate Oxygen Hydrogen Bonding in Substrate Activation by Acyl-CoA Dehydrogenases:  Synergy between the H-bonds [PDF]

, 2016
Several model systems for the α-carbonyl proton abstraction reaction were studied at the DFT level to examine the role of hydrogen bonding interactions in the enzyme catalytic activity of acyl-CoA dehydrogenase. Each system contains the thioester portion
Colin Thorpe (226143), Robert D. Bach (1398001), Olga Dmitrenko (1720570)   +2 more
core   +1 more source

Ethyl 4-(4-chloroanilino)-1-(4-chlorophenyl)-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-carboxylate

Acta Crystallographica Section E, 2013
In the title compound, C20H18Cl2N2O3, the dihedral angles between the central 2,5-dihydro-1H-pyrrole ring and the phenyl rings are 74.87 (9) and 29.09 (9)°. Intramolecular N—H...O and C—H...O hydrogen bonds occur.
Mustafa R. Albayati, Francisco Santoyo-Gonzalez, Mahmoud A.A. Elremaily, Shaaban K. Mohamed, Mehmet Akkurt   +4 more
doaj   +1 more source

Hydrogen-bonded adducts of triphenylsilanol with diamines: a finite ten-molecule aggregate, and chain, sheet and framework structures built from O-H...O, O-H...N and C-H...π(arene) hydrogen bonds [PDF]

, 2004
The structures of five hydrogen-bonded adducts of triphenylsilanol, Ph3SiOH, with diamines have been determined. In the 4: 1 adduct formed with 1,4-diazabicyclo[2.2.2] octane, (Ph3SiOH)(4).C6H12N2 (I) (triclinic, P (1) over bar 1, Z' = 2), there are two ...
Ferguson, G, Turkington, DE, Lough, AJ, Glidewell, Christopher   +3 more
core   +1 more source

Crystal structures of 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(naphthalen-1-yl)acetamide and 2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide

Acta Crystallographica Section E: Crystallographic Communications, 2017
The title compounds, C16H15N5OS, (I), and C12H12FN5OS, (II), are [(diaminopyrimidine)sulfanyl]acetamide derivatives. In (I), the pyrimidine ring is inclined to the naphthalene ring system by 55.5 (1)°, while in (II), the pyrimidine ring is inclined to ...
S. Subasri, Timiri Ajay Kumar, Barij Nayan Sinha, Venkatesan Jayaprakash, Vijayan Viswanathan, Devadasan Velmurugan   +5 more
doaj   +1 more source

1-Benzyl-1H-benzimidazol-2(3H)-one [PDF]

, 2011
The fused five- and six-membered rings in the title compound, C14H12N2O, are essentially planar, the largest deviation from the mean plane being 0.023 (2) Å. The dihedral angle between the benzimidazole mean plane and the phenyl ring is 68.50 (6)°.
Bolte, Michael, Younes Ouzidan, Ouzidan, Younes, Ammari, Lahcen El, Luis, Santiago V., Michael Bolte, Santiago V. Luis, Essassi, El Mokhtar, El Mokhtar Essassi, Lahcen El Ammari   +9 more
core   +1 more source

Crystal structure and Hirshfeld surface analyses, intermolecular interaction energies and energy frameworks of methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-nitrophenyl)-4H-pyran-3-carboxylate

Acta Crystallographica Section E: Crystallographic Communications
The title compound, C17H15N3O7, contains pyran and phenyl rings, with the pyran ring exhibiting a flattened-boat conformation. In the crystal, intermolecular N—H...N hydrogen bonds link the molecules into centrosymmetric dimers, forming R22(12) ring ...
Farid N. Naghiyev, Tuncer Hökelek, Victor N. Khrustalev, Huseyn M. Mamedov, Alebel N. Belay, Jamshid Ashurov, Ibrahim G. Mamedov   +6 more
doaj   +1 more source

(E)-N′-(3,4-Dimethoxybenzylidene)nicotinohydrazide monohydrate

Acta Crystallographica Section E, 2014
In the title hydrated compound, C15H15N3O3·H2O, the nicotinohydrazide molecule adopts a trans conformation with respect to the C=N double bond. The dihedral angle between the benzene and pyridine rings is 5.10 (14)°.
J. Josephine Novina, G. Vasuki, M. Suresh, M. Syed Ali Padusha   +3 more
doaj   +1 more source