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（E）-N'-（4-氯-亚苄基）-对甲苯磺酰肼0.15水合物

(E)-N'-(4-Chloro-benzyl-idene)-p-toluene-sulfonohydrazide 0.15-hydrate.

作者信息

Kia Reza, Fun Hoong-Kun, Kargar Hadi

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 25;65(Pt 5):o1119-20. doi: 10.1107/S1600536809014512.

DOI:10.1107/S1600536809014512
PMID:21583931
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977795/
Abstract

The asymmetric unit of the title compound, C(14)H(13)ClN(2)O(2)S·0.15H(2)O, a novel sulfonamide derivative, comprises two crystallographically independent mol-ecules (A and B) and a water mol-ecule of crystallization, which is partially occupied. One of the mol-ecules (B) is disordered over two positions (B and C) with refined site occupancies of 0.605 (10) and 0.395 (10). The dihedral angles between the two benzene rings in mol-ecules A, B and C are 67.8 (3), 74.6 (5) and 84.96 (11)°, respectively. In the crystal structure, inter-molecular N-H⋯O and C-H⋯O hydrogen bonds link the components of the asymmetric unit. The crystal structure is further stabilized by inter-molecular π-π inter-actions [centroid-centroid distances = 3.4518 (10)-3.5859 (10) Å].

摘要

标题化合物C(14)H(13)ClN(2)O(2)S·0.15H(2)O是一种新型磺酰胺衍生物，其不对称单元包含两个晶体学独立的分子（A和B）以及一个部分占据的结晶水分子。其中一个分子（B）在两个位置（B和C）上无序，精修后的位点占有率分别为0.605 (10)和0.395 (10)。分子A、B和C中两个苯环之间的二面角分别为67.8 (3)、74.6 (5)和84.96 (11)°。在晶体结构中，分子间的N-H⋯O和C-H⋯O氢键连接不对称单元的各组分。晶体结构通过分子间的π-π相互作用[质心-质心距离 = 3.4518 (10)-3.5859 (10) Å]进一步稳定。

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