(E)- n '-(4-氯苄基二烯)-4-甲基苯磺酰肼的晶体结构:六角形多晶型。

IF 0.9 Acta crystallographica. Section E, Structure reports online Pub Date : 2014-11-12 eCollection Date: 2014-12-01 DOI:10.1107/S1600536814023721
J Balaji, J John Francis Xavier, S Prabu, P Srinivasan
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引用次数: 5

摘要

标题化合物C14H13ClN2O2S在对构六角形空间群P61中结晶[Flack参数= -0.02(7)]。同样的化合物的部分水合形式,在三斜空间群P-1中结晶,先前已经有报道[Kia等人(2009b)]。Acta结晶。E65, o1119],溴衍生物的晶体结构也是如此,也在空间群P-1中结晶[Kia等(2009a)]。Acta结晶。E65, o821]。标题分子是非平面的,苯环平面相互倾斜76.62(13)°,在C=N键周围呈E构象。在晶体中,分子通过N-H⋯O氢键连接在一起,形成61条螺旋链[001]。链通过C-H⋯O氢键、C-H⋯π相互作用和短Cl⋯O [3.015 (3) Å]相互作用连接,形成三维结构。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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Crystal structure of (E)-N'-(4-chloro-benzyl-idene)-4-methyl-benzene-sulfono-hydrazide: a hexa-gonal polymorph.

The title compound, C14H13ClN2O2S, crystallized in the enanti-omorphic defining hexa-gonal space group P61 [Flack parameter = -0.02 (7)]. The partially hydrated form of the same compound, crystallizing in the triclinic space group P-1, has been reported previously [Kia et al. (2009b). Acta Cryst. E65, o1119], as has the crystal structure of the bromo derivative, also crystallizing in the space group P-1 [Kia et al. (2009a). Acta Cryst. E65, o821]. The title mol-ecule is non-planar with the planes of the benzene rings being inclined to one another by 76.62 (13)°, and has an E conformation about the C=N bond. In the crystal, mol-ecules are linked via N-H⋯O hydrogen bonds forming 61 helical chains running along [001]. The chains are linked via C-H⋯O hydrogen bonds, C-H⋯π inter-actions and short Cl⋯O [3.015 (3) Å] inter-actions, forming a three-dimensional structure.

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来源期刊
自引率
33.30%
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0
审稿时长
1.3 months
期刊介绍: Acta Crystallographica Section E: Structure Reports Online is the IUCr highly popular open-access structural journal. It provides a simple and easily accessible publication mechanism for the growing number of inorganic, metal-organic and organic crystal structure determinations. The electronic submission, validation, refereeing and publication facilities of the journal ensure very rapid and high-quality publication, whilst key indicators and validation reports provide measures of structural reliability. In 2009, the journal published over 4000 structures. The average publication time is less than one month.
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