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

The title hydrated salt, C(6)H(6)NO(2) (+)·C(10)H(5)O(8) (−)·H(2)O, 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; t...

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Detalles Bibliográficos
Autores principales: Arman, Hadi D., Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3770392/
https://www.ncbi.nlm.nih.gov/pubmed/24046677
http://dx.doi.org/10.1107/S1600536813016437
Descripción
Sumario:The title hydrated salt, C(6)H(6)NO(2) (+)·C(10)H(5)O(8) (−)·H(2)O, 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.