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2-氨基-5-甲基吡啶 3-氯苯甲酸盐

2-Amino-5-methyl-pyridinium 3-chloro-benzoate.

作者信息

Thanigaimani Kaliyaperumal, Farhadikoutenaei Abbas, Khalib Nuridayanti Che, Arshad Suhana, Razak Ibrahim Abdul

机构信息

School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Nov 1;68(Pt 11):o3195. doi: 10.1107/S1600536812043231. Epub 2012 Oct 24.

Abstract

The 3-chloro-benzoate anion of the title salt, C(6)H(9)N(2) (+)·C(7)H(4)ClO(2) (-), is nearly planar with a dihedral angle of 2.44 (13)° between the benzene ring and the carboxyl-ate group. In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl-ate O atoms of the anion via a pair of N-H⋯O hydrogen bonds with an R(2) (2)(8) ring motif, forming an approximately planar ion pair with a dihedral angle of 7.92 (5)° between the pyridinium and benzene rings. The ion pairs are further connected via N-H⋯O and C-H⋯O hydrogen bonds, forming a two-dimensional network parallel to the bc plane.

摘要

标题盐C(6)H(9)N(2) (+)·C(7)H(4)ClO(2) (-)的3-氯苯甲酸根阴离子近乎平面,苯环与羧酸根基团之间的二面角为2.44 (13)°。在晶体中,阳离子的质子化N原子和2-氨基通过一对具有R(2) (2)(8)环模式的N-H⋯O氢键与阴离子的羧酸根O原子形成氢键,形成一个近似平面的离子对,吡啶鎓环与苯环之间的二面角为7.92 (5)°。离子对通过N-H⋯O和C-H⋯O氢键进一步连接,形成平行于bc平面的二维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/765a/3515286/ebbfb589636a/e-68-o3195-fig1.jpg

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