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4-[3-(吡啶-4-基)丙基]吡啶鎓 2-羧基苯甲酸酯

4-[3-(Pyridin-4-yl)prop-yl]pyridinium 2-carb-oxy-benzoate.

作者信息

Xu Wei, Qi Jin-Li

机构信息

Center of Applied Solid State Chemistry Research, Ningbo University, Ningbo 315211, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2319. doi: 10.1107/S1600536812029339. Epub 2012 Jul 4.

DOI:10.1107/S1600536812029339
PMID:22904792
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3414185/
Abstract

In the title molecular salt, C(13)H(15)N(2) (+)·C(8)H(5)O(4) (-), the 2-carb-oxy-benzoate anions are joined into a chain along [010] by strong O-H⋯O hydrogen bonds, with the H atoms disordered about the inter-vening centres of inversion. The presence of N-H⋯O hydrogen bonds between cations generates an additional chain along [010] and parallel to that of the anions. The chains are assembled into a three-dimensional framework via weak C-H⋯O inter-chain inter-actions. In the cation, thee dihedral angle between the pyridine rings is 48.91 (4)°.

摘要

在标题分子盐C(13)H(15)N(2) (+)·C(8)H(5)O(4) (-)中,2-羧基苯甲酸根阴离子通过强O-H⋯O氢键沿[010]方向连接成链,H原子在中间的反演中心处无序分布。阳离子之间存在N-H⋯O氢键,沿[010]方向生成了一条与阴离子链平行的附加链。这些链通过弱的C-H⋯O链间相互作用组装成三维骨架。在阳离子中,吡啶环之间的二面角为48.91 (4)°。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e1d4/3414185/0c52d58114c6/e-68-o2319-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e1d4/3414185/3115d5957317/e-68-o2319-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e1d4/3414185/0c52d58114c6/e-68-o2319-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e1d4/3414185/3115d5957317/e-68-o2319-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e1d4/3414185/0c52d58114c6/e-68-o2319-fig2.jpg

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