Acta Cryst. (2010). E66, o2950-o2951  [ doi:10.1107/S1600536810042571 ]

2-Isopropyl-6-methyl-4-oxo-3,4-dihydropyrimidin-1-ium 2-carboxy-4,6-dinitrophenolate monohydrate

M. Hemamalini and H.-K. Fun

Abstract: In the title molecular salt, C₈H₁₃N₂O⁺·C₇H₃N₂O₇^-·H₂O, the pyrimidinium cation is essentially planar, with a maximum deviation of 0.009 (1) Å. The cation undergoes an enol-keto tautomerism during the crystallization. In the crystal, the ion pairs and water molecules are connected via O-HO, N-HO and C-HO hydrogen bonds, forming two-dimensional networks parallel to the bc plane. There is an intramolecular O-HO hydrogen bond in the 3,5-dinitrosalicylate anion, which generates an S(6) ring motif.

Online 30 October 2010

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