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(E)-N'-(5-氯-2-羟基-亚苄基)-对甲苯磺酰肼

(E)-N'-(5-Chloro-2-hydroxy-benzyl-idene)-p-toluene-sulfonohydrazide.

作者信息

Kia Reza, Fun Hoong-Kun, Kargar Hadi

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 22;64(Pt 12):o2424. doi: 10.1107/S1600536808038695.

DOI:10.1107/S1600536808038695
PMID:21581392
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2960077/
Abstract

The title compound, C(14)H(13)ClN(2)O(3)S, features an intra-molecular O-H⋯N hydrogen bond which generates an S(6) ring motif. Inter-molecular N-H⋯O hydrogen bonds and C-H⋯O close contacts link neighbouring mol-ecules forming R(2) (2)(13) ring motifs. In the crystal structure, mol-ecules are further linked by C-H⋯Cl inter-actions, forming one-dimensional extended chains along the c axis. The dihedral angle between the two benzene rings is 86.06 (3)°. The crystal structure is further stabilized by weak inter-molecular π-π inter-actions [inter-planar stacking distance = 3.357 (7) Å].

摘要

标题化合物C(14)H(13)ClN(2)O(3)S具有分子内O-H⋯N氢键,形成了S(6)环模式。分子间的N-H⋯O氢键和C-H⋯O紧密接触将相邻分子连接起来,形成R(2) (2)(13)环模式。在晶体结构中,分子通过C-H⋯Cl相互作用进一步连接,沿c轴形成一维延伸链。两个苯环之间的二面角为86.06 (3)°。晶体结构通过弱分子间π-π相互作用[平面间堆积距离 = 3.357 (7) Å]进一步稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/365d/2960077/3157f05f8b8b/e-64-o2424-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/365d/2960077/7cda2db66143/e-64-o2424-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/365d/2960077/3157f05f8b8b/e-64-o2424-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/365d/2960077/7cda2db66143/e-64-o2424-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/365d/2960077/3157f05f8b8b/e-64-o2424-fig2.jpg

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本文引用的文献

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(E)-N'-Benzyl-idene-p-toluene-sulfono-hydrazide.(E)-N'-苄叉基-对甲苯磺酰肼
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A short history of SHELX.SHELX简史。
(E)-N'-(4-Bromo-benzyl-idene)-p-toluene-sulfonohydrazide.
(E)-N'-(4-溴-亚苄基)-对甲苯磺酰肼
Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 25;65(Pt 4):o821-2. doi: 10.1107/S1600536809009751.
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.