3-Carboxy-5-(pyridinium-4-yl)benzoate: a redetermination

The title compound, C13H9NO4, crystallizes in a zwitterionic form with the pyridine N atom protonated and the carboxyl OH group deprotonated. The benzene and pyridinium rings are inclined with a dihedral angle of 31.42 (14)° between them. A previous report of this stucture...

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Bibliographic Details
Main Authors: Shi-Jie Li, Dong-Liang Miao, Wen-Dong Song, Shao-Wei Tong
Format: Article
Language:English
Published: International Union of Crystallography 2011-06-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536811016394
Description
Summary:The title compound, C13H9NO4, crystallizes in a zwitterionic form with the pyridine N atom protonated and the carboxyl OH group deprotonated. The benzene and pyridinium rings are inclined with a dihedral angle of 31.42 (14)° between them. A previous report of this stucture claims, we believe incorrectly, that neither of the carboxylate groups is deprotonated [Zhang et al. (2010). Acta Cryst. E66, o2928–o2928]. In the crystal, intermolecular O—H...O, N—H...O and weak C—H...O hydrogen-bonding interactions link adjacent molecules into a three-dimensional supramolecular network.
ISSN:1600-5368