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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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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 |
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. |
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