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（Z）-3-（4-氯苯基）-2-（2-苯基环己-2-烯-1-基亚氨基）噻唑烷-4-酮

(Z)-3-(4-Chloro-phen-yl)-2-(2-phenyl-cyclo-hex-2-en-1-yl-imino)-thia-zolidin-4-one.

作者信息

Ooi Chin Wei, Fun Hoong-Kun, Quah Ching Kheng, Sathishkumar Murugan, Ponnuswamy Alagusundaram

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o1999-2000. doi: 10.1107/S1600536812024294. Epub 2012 Jun 2.

DOI:10.1107/S1600536812024294
PMID:22807829
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3393272/
Abstract

The title compound, C(21)H(19)ClN(2)OS, exists in a cis conformation with respect to the N=C bond [1.2608 (13) Å]. The cyclo-hexene ring adopts a distorted half-chair conformation. The thia-zolidine ring is close to being planar (r.m.s. deviation = 0.057 Å) and makes dihedral angles of 62.92 (6) and 56.32 (6)°, respectively, with the benzene ring and the chloro-substituted benzene ring. The dihedral angle between the benzene ring and the chloro-substituted benzene ring is 72.91 (6)°. In the crystal, mol-ecules are linked by C-H⋯O and C-H⋯N hydrogen bonds into undulating sheets lying parallel to the bc plane. The crystal is further consolidated by C-H⋯π inter-actions.

摘要

标题化合物C(21)H(19)ClN(2)OS相对于N=C键呈顺式构象[键长为1.2608 (13) Å]。环己烯环呈扭曲的半椅式构象。噻唑烷环接近平面结构（均方根偏差 = 0.057 Å），与苯环和氯代苯环的二面角分别为62.92 (6)°和56.32 (6)°。苯环和氯代苯环之间的二面角为72.91 (6)°。在晶体中，分子通过C—H⋯O和C—H⋯N氢键连接成平行于bc平面的波浪状片层。晶体通过C—H⋯π相互作用进一步巩固。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fb9f/3393272/0cfe3091df1c/e-68-o1999-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fb9f/3393272/5d6aba94b6db/e-68-o1999-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fb9f/3393272/0cfe3091df1c/e-68-o1999-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fb9f/3393272/5d6aba94b6db/e-68-o1999-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fb9f/3393272/0cfe3091df1c/e-68-o1999-fig2.jpg

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