Results 31 to 40 of about 559,078 (257)

Ethyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate monohydrate

Acta Crystallographica Section E, 2008
There are three formula units in the asymmetric unit of the title compound, C14H16N2O4·H2O. Molecules are linked by N—H...O hydrogen bonds into dimers with the common R22(8) graph-set motif.
T. N. Guru Row, Narendra P Karambelkar, Suhas R. Pednekar, Shardul B. Chheda, Ushati Das   +4 more
doaj   +1 more source

Crystal structures of two hydrazide derivatives of mefenamic acid, 3-(2,3-dimethylanilino)-N′-[(E)-(furan-2-yl)methylidene]benzohydrazide and N′-[(E)-benzylidene]-2-(2,3-dimethylanilino)benzohydrazide

Acta Crystallographica Section E: Crystallographic Communications, 2021
The conformation about the central benzene ring in the molecule of (I), C20H19N3O2, is partially determined by an intramolecular N—H...O hydrogen bond. In the crystal, chains parallel to the c axis are generated by intermolecular N—H...O hydrogen bonds ...
Shaaban K. Mohamed, Joel T. Mague, Mehmet Akkurt, Mustafa R. Albayati, Sahar M. I. Elgarhy, Elham A. Al-Taifi   +5 more
doaj   +1 more source

2-Phenyl-N′-(2-phenylacetyl)acetohydrazide

Acta Crystallographica Section E, 2012
In the title compound, C16H16N2O2, the N′-acetylacetohydrazide group is approximately planar (r.m.s. deviation = 0.018 Å for the eight non-H atoms) and makes dihedral angles of 81.92 (6) and 65.19 (6)&#
Hatem A. Abdel-Aziz, Ching Kheng Quah, Hoong-Kun Fun   +2 more
doaj   +1 more source

Hydrogen bonding interactions of benzylidene type Schiff bases studied by vibrational spectroscopic and computational methods [PDF]

, 2003
The structural features of four benzylidene type Schiff bases [(E)-benzaldehyde-N-phenyl imine, (A) (E)-2-hydroxybenzaldehyde-N-phenyl imine (B) (E)-benzaldehyde-N-2-hydroxyphenyl imine (C) (E)-2-hydroxybenzaldehyde-N-2-hydroxyphenyl imine (D)] were ...
Aakeroy, Baker, Bondi, Cohen, Csaba Hetényi, Császár, Devlin, Filarowski, Hoshino, Inabe, István Pálinkó, Ledbetter, Ledbetter, Ligtenbarg, Lindeman, Meic, Minkin, Ostrowska, Ottó Berkesi, Rozwadowski, Scott, Smith, Stewart, Stewart, Tamás Körtvélyesi, Tamás Németh, Voet, Wozniak   +27 more
core   +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, Ahmad, Ezava, Feierman, Sanz, Sheldrick   +5 more
core   +1 more source

4-Amino-1H-1,2,4-triazol-1-ium nitrate

Acta Crystallographica Section E, 2011
The non-centrosymmetric crystal structure of the novel semi-organic title compound, C2H5N4+·NO3−, is based on alternating layers of 4-amino-1H-1,2,4-triazolinium cations (formed by parallel chains of cations mediated by weak C& ...
Ivan Němec, Ivana Císařová, Irena Matulková   +2 more
doaj   +1 more source

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, B. Gunasekaran, P. Praveen Kumar, G. Chakkaravarthi   +3 more
doaj   +1 more source

Diethyl 2,6-Dimethyl-4-(naphthalen-1-yl)-1,4-Dihydropyridine-3,5-Dicarboxylate [PDF]

, 2016
In the title compound, C23H25NO4, the 1,4-dihydropyridine ring adopts a flattened boat conformation. The naphthalene ring system forms a dihedral angle of 88.59 (6)° with the pyridine ring.
Noor Shahina Begum, ., Prasad, N.L.
core   +1 more source

Crystal structures of N-(4-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide and N-(3-chlorophenyl)-2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamide

Acta Crystallographica Section E: Crystallographic Communications, 2017
The title compounds, C12H12ClN5OS, (I), and C12H12ClN5OS, (II), are 2-[(diaminopyrimidin-2-yl)sulfanyl]acetamides. Compound (II), crystallizes with two independent molecules (A and B) in the asymmetric unit. In each of the molecules, in both (I) and (II),
S. Subasri, Timiri Ajay Kumar, Barij Nayan Sinha, Venkatesan Jayaprakash, Vijayan Viswanathan, Devadasan Velmurugan   +5 more
doaj   +1 more source

An ab initio and AIM investigation into the hydration of 2-thioxanthine [PDF]

, 2010
Background: Hydration is a universal phenomenon in nature. The interactions between biomolecules and water of hydration play a pivotal role in molecular biology. 2-Thioxanthine (2TX), a thio-modified nucleic acid base, is of significant interest as a DNA
Xiu-Xiang Yuan, Yan-Fang Wang, Xin Wang, Wenbo Chen, John S Fossey, Ning-Bew Wong, J Fitter, NJ Kim, W Pohil, B Bagchi, AP Sokolov, YG He, JH Hendricks, A Abo-Riziq, J Schiedt, W Chin, K Schoone, R Ramaekers, M Kabeláč, M Tho Nguyen, T Van Mourik, ES Kryachko, AK Chandra, AK Chandra, RB Zhang, T Frigato, AK Chandra, OV Shishkin, AK Chandra, S Kim, SA Trygubenko, M Hanus, M Hanus, J Rejnek, JD Zhang, RHD Lyngdoh, JD Gu, GA Spiller, K Miyamoto, K Yasui, Z Wang, DJ Darensbourg, A Dafali, OH Nielsen, CE Neunert, HG Mautner, LM Twanmoh, PU Civcir, BZ Li, G Stoychev, E Kulikowska, E Speina, H Tamta, K Papakostas, AE Reed, RWF Bader, C Møller, RG Parr, C Lee, AD Becke, SF Boys, R Ditchfield, K Wolinski, U Koch, PLA Popelier, F Biegler-König, F Biegler-König, MJ Frisch, GA Jeffrey, AK Rappé, JE Del Bene, ED Becker, P Hobza, XS Li, K Hermansson, B Blicharska, V Vailikhit, JE Del Bene, X Wang   +78 more
core   +3 more sources