Results 61 to 70 of about 288,064 (168)
Stabilization and Destabilization of the Cδ−H···OC Hydrogen Bonds Involving Proline Residues in Helices [PDF]
, 2016 There are a large number of helices in proteins that contain the Cδ−H···OC hydrogen bonds involving Pro. Ab initio and density functional methods at HF/6-31G*, B3LYP/6-31+G**, B3LYP/6-311+G**, and MP2/6-31+G** levels are used to determine the factors ...
Haobo Guo (1540912) +2 more
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tert-Butyl N-{3-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]propyl}carbamate
Acta Crystallographica Section E, 2012 In the title compound, C18H21ClN2O4, the molecular sytructure is stabilized by two intramolecular N—H...O hydrogen bonds. In the crystal, molecules are linked by pairs of C—H...O hydrogen bonds, forming inversion dimers with graph-set
Jackson A. L. C. Resende +1 more
doaj +1 more source
Hydrogen bonds formed by C—H groups [PDF]
, 1971 Thermodynamic data on the hydrogen bond equilibria in octyne-donor systems are reported. CNDO/2 calculations have been carried out on hydrogen bonds formed by acetylene, HCN and fluoroform. The calculated values of dissociation energies and C-H...
Goel, Abha, Rao, C. N. R.
core +1 more source
Acta Crystallographica Section E: Crystallographic Communications, 2019 Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions have been prepared and structurally characterized. The monohydrated benzoate, 4-fluorobenzoate, 4-chlorobenzoate and 4-bromobenzoate salts, C11H17N2O+·C7H5O2−·H2O (I), C11H17N2O ...
Haruvegowda Kiran Kumar +3 more
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Dimethyl 6-bromo-2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate [PDF]
, 2012 In the title compound, C14H14BrNO4, the dihydropyridine ring adopts a screw-boat conformation. In the crystal, pairs of N—H[cdots, three dots, centered]O hydrogen bonds link the molecules into inversion R 2 2(10 ...
Bolte, Michael +5 more
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Acta Crystallographica Section E: Crystallographic Communications, 2015 In the title compound, C20H20N4O2·H2O, the planes of the phenoxy and phthalonitrile rings are oriented at a dihedral angle of 60.39 (5)°. The 3-(dimethylamino)propyl chain has an extended conformation and is cis with respect to the phthalonitrile ring ...
Senem Çolak +4 more
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N-H···O, O-H···O, and C-H···O hydrogen bonds in protein-ligand complexes: strong and weak interactions in molecular recognition [PDF]
, 2004 The characteristics of N-H···O, O-H···O, and C-H···O hydrogen bonds are examined in a group of 28 high-resolution crystal structures of protein-ligand complexes from the Protein Data Bank and compared with ...
Sarkhel, Sanjay, Desiraju, Gautam R.
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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 +2 more
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2-Amino-4,6-dimethoxypyrimidin-1-ium p-toluenesulfonate
Acta Crystallographica Section E, 2011 In the title salt, C6H10N3O2+·C7H7O3S−, the 2-amino-4,6-dimethoxypyrimidinium cation interacts with the sulfonate group of the p-toluenesulfonate anion via a pair of N—H...O hydrogen bonds, forming a cyclic hydrogen-bonded ...
Packianathan Thomas Muthiah +1 more
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Cation–Cation Pairing by N-C-H···O Hydrogen Bonds [PDF]
, 2015 The pairing of ions of opposite charge is a fundamental principle in chemistry, and is widely applied in synthesis and catalysis. In contrast, cation–cation association remains an elusive concept, lacking in supporting experimental evidence.
Gamrad, W. +3 more
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