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2-[(E)-2-(4-氯苯基)乙烯基]-1-甲基吡啶鎓 4-甲氧基苯磺酸盐

2-[(E)-2-(4-Chloro-phen-yl)ethen-yl]-1-methyl-pyridinium 4-methoxy-benzene-sulfonate.

作者信息

Chanawanno Kullapa, Chantrapromma Suchada, Fun Hoong-Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 10;65(Pt 7):o1549-50. doi: 10.1107/S1600536809021679.

Abstract

In the asymmetric unit of the title salt, C(14)H(13)ClN(+)·C(7)H(7)O(4)S(-), there are two crystallographically independent mol-ecules for each component. Each cation adopts an E configuration with respect to the C=C bond and is slightly twisted; the dihedral angle between the pyridinium and benzene rings is 6.53 (7)° for one mol-ecule and 5.30 (7)° for the other. The meth-oxy groups in the anion mol-ecules are each twisted from the mean plane of benzene ring with torsion angles of 16.38 (19) and 4.32 (19)°. In the crystal structure, the cations are stacked in an anti-parallel manner along the a axis and the anions are linked together by C-H⋯O inter-actions into a layer parallel to (001). The anion layers are further linked to adjacent cations by C-H⋯O inter-actions. C-H⋯π inter-actions involving the benzene rings of both ions are also observed.

摘要

在标题盐C(14)H(13)ClN⁺·C(7)H(7)O(4)S⁻的不对称单元中,每种组分有两个晶体学独立的分子。每个阳离子相对于C=C键采取E构型且略有扭曲;对于一个分子,吡啶鎓环和苯环之间的二面角为6.53 (7)°,对于另一个分子为5.30 (7)°。阴离子分子中的甲氧基各自相对于苯环平均平面扭曲,扭转角分别为16.38 (19)°和4.32 (19)°。在晶体结构中,阳离子沿a轴以反平行方式堆积,阴离子通过C-H⋯O相互作用连接在一起形成平行于(001)的层。阴离子层通过C-H⋯O相互作用进一步与相邻阳离子相连。还观察到涉及两种离子苯环的C-H⋯π相互作用。

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