C-H...N CONTACTS
C—H⋯N contacts in 4 phenyl 3 (4 pyridyl) 4H 1,2,4 triazole
... Extensive studies have been carried out in recent years on substituted 1,2,4-triazoles. The immense interest in this class of compounds results from their chemical, biological and phar- macological signi®cance. ...
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Trispyrazol 1 ylmethane
... such contacts whose range falls by about ...two C–H···N ...a C(7) descriptor on the unitary ...the H atom of C10 and N6 ...
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Crystal structure of tetramethylammonium 1,1,7,7 tetracyanohepta 2,4,6 trienide
... antiparallel chains stack along the [110] direction with alter- nating separations between neighboring anions in the stacks of 3.291 and 3.504 A ˚ . The C—H N short contacts (Table 1) and ...
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Crystal structure of bis[tris(1,10 phenanthroline κ2N,N′)cobalt(II)] tetranitrate N,N′ (1,4 phenylenedicarbonyl)diglycine solvate octahydrate
... as C— H O contacts between the oxygen atom of the amide group and one phenanthroline ...and C— H as well as O—H O and N—H O hydrogen bonding are observed and ...
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Structural analysis of 2 iodobenzamide and 2 iodo N phenylbenzamide
... (I), N—H O and hydrogen bonds form two sets of closed rings, generating dimers and ...with C— I (ring) halogen bonds to form sheets of molecules in the bc ...(II), N—H O hydrogen bonds ...
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Tetramethylguanidinium chloride
... The classical hydrogen bonds of the form N+—H···Cl- Table 2 link the formula units into discrete centrosymmetric dimers Fig.. Further contacts of the form C—H···Cl-, the shortest of whic[r] ...
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(N,N Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study
... localized C— H interaction, Table 2, as well as interatomic H H and C H/H C contacts, Table 3, upon the molecular packing are evident as the diminutive-red ...
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Ethyl 2 (4 benzyl 3 methyl 6 oxo 1,6 dihydropyridazin 1 yl)acetate: crystal structure and Hirshfeld surface analysis
... or N(pyridazinyl) interactions, resulting in the formation of a supramolecular tape along the a-axis ...phenyl-C— H O(ester carbonyl) ...of H H contacts to the overall surface ...
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Crystal structure of (2 {[(8 aminonaphthalen 1 yl)imino]methyl} 4,6 di tert butylphenolato κ3N,N′,O)bromidonickel(II)
... intermolecular N—H Br hydrogen bond, Table 2, which connects individual molecules into ...amine H atom, H2A, does not form a hydrogen ...close N—H C() contacts (Table ...
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The crystal structures of benzylammonium phenylacetate and its hydrate
... O H/H O contacts can be attributed mainly to classical and non-classical, ...i.e. C—H O, hydrogen bonds. Naturally no O H contacts, but only H O contacts are ...
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Two dialkylammonium salts of 2 amino 4 nitrobenzoic acid: crystal structures and Hirshfeld surface analysis
... charge-assisted N—H O hydrogen bonds between the respective ...O H contact between the amino-H2N and nitro-O8 atoms, Table 3, is evident from the faint-red spots at the N1, ...interatomic ...
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1 Butyl 1 chloro 3 methyl 3H 2,1λ4 benzoxatellurole: crystal structure and Hirshfeld analysis
... set approximates a square pyramid with the lone pair of electrons projected to occupy a position trans to the n-butyl substituent. Interestingly, the Te IV atoms exhibit opposite chirality. The major difference ...
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Crystal structure of 4,4′ diethynylbiphenyl
... even C—H E (E = O, N, halogen) contacts, challenge the packing in this ...intermolecular contacts are clearly contributory ...edge-to-face C—H (ring) inter- actions (Table ...
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6,6′ Dimethoxy 2,2′ [2,2 dimethylpropane 1,3 diylbis(nitrilomethylidyne)]diphenol
... O—H N hydrogen bonds generate S(6) ring motifs. The N atoms are also in close proximity to the H atoms of the dimethylpropane groups, with H N distances between ...intermolecular ...
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Bis(4 methoxychalcone 4 ethylthiosemicarbazonato κ2N1,S)zinc(II): crystal structure and Hirshfeld surface analysis
... intermolecular N— H S and C—H O interactions are also viewed as blue and red regions about respective atoms in the images of ...The C—H interactions involving imine-phenyl and ...
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(4 Nitrophenyl)methyl 2,3 dihydro 1H pyrrole 1 carboxylate: crystal structure and Hirshfeld analysis
... molecular C—H O interactions (labelled ‘1’ and ‘2’), the diminutive red spots appearing near the pyrrole-H3 and nitro- O4 atoms in ...weak C—H O contacts in the crystal (Table ...short ...
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(μ2 Adipato κ4O,O′:O′′,O′′′)bis[aqua(benzene 1,2 diamine κ2N,N′)chloridocadmium]: crystal structure and Hirshfeld surface analysis
... O H contact between water-O1W and methyl- H3A mentioned above are merged in the plot, ...into C H/H C contacts, ...these contacts make a signifi- cant contribution of ...
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Bis(N′ {(E) [(2E) 1,3 diphenylprop 2 en 1 ylidene]amino} N ethylcarbamimidothioato κ2N′,S)zinc(II): crystal structure and Hirshfeld surface analysis
... and h, which reveals additional characteristic spots on the ...inter-atomic C H/H C contacts in the crystal, see Table 5 for ...inter-atomic C N, C S and ...
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Crystal structure, Hirshfeld surface analysis and computational study of bis(2 {[(2,6 dichlorobenzylidene)hydrazinylidene]methyl}phenolato)cobalt(II) and of the copper(II) analogue
... , (I), and Cu II , (II), present distinct coordination geometries despite the Schiff base dianion coordinating via the phenolato-O and imine-N atoms in each case. For (I), the coordination geometry is based on a ...
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Crystal structure of 5 [2 (9H carbazol 9 yl)ethyl] 1,3,4 oxadiazole 2(3H) thione
... figures, N— H S (orange), N—H O (dark blue) and C—H N (light blue) hydrogen bonds are drawn as coloured dashed ...lines. C—H contacts are shown as ...
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