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4,4'-(乙烯-1,2-二基)二吡啶鎓双-[4-(2-羧基苯甲酰基)苯甲酸酯]

4,4'-(Ethene-1,2-diyl)dipyridinium bis-[4-(2-carboxy-benzo-yl)benzoate].

作者信息

Li Cai, Li Dong-Sheng, Zhao Jun, Zheng Xue-Gang, Ke Xi-Jun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Nov 25;65(Pt 12):o3219. doi: 10.1107/S1600536809048417.

Abstract

In the crystal structure of the title compound, C(12)H(12)N(2) (2+)·2C(15)H(9)O(5) (-), the cation has site symmetry with the mid-point of C=C bond located on an inversion center. The two benzene rings of the anion are oriented at a dihedral angle 85.87 (6)°. In the crystal, inter-molecular O-H⋯O and N-H⋯O hydrogen bonds link the cations and anions into supra-molecular double chains, which are further connected into a three-dimensional network through inter-molecular C-H⋯O and π-π stacking between parallel pyridine rings [centroid-centroid distance = 3.4413 (12)Å] and between parallel benzene rings [centroid-centroid distance = 3.6116 (14)Å].

摘要

在标题化合物C(12)H(12)N(2) (2+)·2C(15)H(9)O(5) (-)的晶体结构中,阳离子具有位点对称性,C=C键的中点位于一个反演中心上。阴离子的两个苯环以85.87 (6)°的二面角取向。在晶体中,分子间的O-H⋯O和N-H⋯O氢键将阳离子和阴离子连接成超分子双链,这些双链通过分子间的C-H⋯O以及平行吡啶环之间的π-π堆积[质心-质心距离 = 3.4413 (12)Å]和平行苯环之间的π-π堆积[质心-质心距离 = 3.6116 (14)Å]进一步连接成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7f33/2971962/ec6806e69808/e-65-o3219-fig1.jpg

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