Back to Search Start Over

4-Carboxypyridin-1-ium 2,4,5-tricarboxybenzoate monohydrate

Authors :
Hadi D. Arman
Edward R. T. Tiekink
Source :
Acta Crystallographica Section E, Vol 69, Iss 7, Pp o1122-o1123 (2013)
Publication Year :
2013
Publisher :
International Union of Crystallography, 2013.

Abstract

The title hydrated salt, C6H6NO2+·C10H5O8−·H2O, was isolated from the 1:1 cocrystallization of benzene-1,2,4,5-tetracarboxylic acid and isonicotinic acid in ethanol solution. In the crystal, the cation is close to planar [r.m.s. deviation = 0.085 Å for the nine fitted atoms; the C—C—C—O(carbonyl) torsion angle = −8.7 (4)°], but twists are evident in the anion, with all but the carboxylic acid group diagonally opposite the carboxylate group being significantly twisted out of the plane of the benzene ring [C—C—C—O(carbonyl) torsion angles = −118.1 (2), −157.6 (2), 4.3 (3) and 77.3 (3)°]. In the crystal, the ions and water molecules are consolidated into a three-dimensional architecture by O—H...O and N—H...O hydrogen bonding along with C—H...O interactions.

Subjects

Subjects :
Crystallography
QD901-999

Details

Language :
English
ISSN :
16005368
Volume :
69
Issue :
7
Database :
Directory of Open Access Journals
Journal :
Acta Crystallographica Section E
Publication Type :
Academic Journal
Accession number :
edsdoj.63ab3fd544cf4db19e4c0811b2dc526f
Document Type :
article
Full Text :
https://doi.org/10.1107/S1600536813016437