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4-Carboxypyridin-1-ium 2,4,5-tricarboxybenzoate monohydrate
- 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 :
- Crystallography
QD901-999
Subjects
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