（E）-4-{[2-（2,4-二硝基苯基）肼-1-亚基]甲基}-3-甲基-1-苯基-5-（1H-吡咯-1-基）-1H-吡唑的晶体结构
Crystal structure of (E)-4-{[2-(2,4-di-nitro-phen-yl)hydrazin-1-yl-idene]meth-yl}-3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole.
作者信息
Mague Joel T, Mohamed Shaaban K, Akkurt Mehmet, El-Kashef Hussein M S, Albayati Mustafa R
机构信息
Department of Chemistry, Tulane University, New Orleans, LA 70118, USA.
Chemistry and Environmental Division, Manchester Metropolitan University, Manchester M1 5GD, England ; Chemistry Department, Faculty of Science, Minia University, 61519 El-Minia, Egypt.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2014 Nov 8;70(Pt 12):o1246-7. doi: 10.1107/S1600536814024039. eCollection 2014 Dec 1.
The title compound, C21H17N7O4, is in an 'extended' conformation aided by an intra-molecular N-H⋯O hydrogen bond. The pyrazole ring makes dihedral angles of 29.17 (6), 65.47 (4) and 9.91 (7)°, respectively, with the phenyl, pyrrole and benzene rings. In the crystal, mol-ecules are connected by pairs of N-H⋯O and C-H⋯O hydrogen bonds, forming inversion dimers which associate into ribbons running along the b axis through complementary C-H⋯O inter-actions.
标题化合物C21H17N7O4通过分子内N-H⋯O氢键呈“伸展”构象。吡唑环与苯环、吡咯环和苯环的二面角分别为29.17 (6)°、65.47 (4)°和9.91 (7)°。在晶体中，分子通过N-H⋯O和C-H⋯O氢键对相连，形成反演二聚体，这些二聚体通过互补的C-H⋯O相互作用沿b轴形成带状结构。
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