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4-(二甲基氨基)吡啶鎓 4-氨基苯甲酸盐二水合物的晶体结构

Crystal structure of 4-(di-methyl-amino)-pyridinium 4-amino-benzoate dihydrate.

作者信息

Thirunavukkarasu A, Silambarasan A, Kumar R Mohan, Umarani P R, Chakkaravarthi G

机构信息

Department of Physics, Presidency College, Chennai 600 005, India.

Directorate of Collegiate Education, Govt. of Tamil Nadu, Chennai 600 006, India.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Jan 1;71(Pt 1):o26-7. doi: 10.1107/S2056989014026310.

Abstract

In the title hydrated mol-ecular salt, C7H11N2 (+)·C7H6NO2 (-)·2H2O, the cation is protonated at the pyridine N atom and the dihedral angle between the benzene ring and the CO2 (-) group in the anion is 8.5 (2)°. In the crystal, the cation forms an N-H⋯O hydrogen bond to the anion and the anion forms two N-H⋯O hydrogen bonds to adjacent water mol-ecules. Both water mol-ecules form two O-H⋯O hydrogen bonds to carboxyl-ate O atoms. In combination, these hydrogen bonds generate a three-dimensional network and two weak C-H⋯π inter-actions are also observed.

摘要

在标题水合分子盐C₇H₁₁N₂⁺·C₇H₆NO₂⁻·2H₂O中,阳离子在吡啶N原子处质子化,阴离子中苯环与CO₂⁻基团之间的二面角为8.5(2)°。在晶体中,阳离子与阴离子形成N-H⋯O氢键,阴离子与相邻水分子形成两个N-H⋯O氢键。两个水分子均与羧酸根O原子形成两个O-H⋯O氢键。这些氢键共同形成三维网络,并且还观察到两个弱的C-H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9576/4331910/77a1012c46be/e-71-00o26-fig1.jpg

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