Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 7 (July 2013)

organic compounds

Acta Cryst. (2013). E69, o1122-o1123    [ doi:10.1107/S1600536813016437 ]

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

H. D. Arman and E. R. T. Tiekink

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.

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