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

In the title mol­ecular salt, C(8)H(13)N(2)O(+)·C(7)H(3)N(2)O(7) (−)·H(2)O, 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 connect...

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Detalles Bibliográficos
Autores principales: Hemamalini, Madhukar, Fun, Hoong-Kun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009185/
https://www.ncbi.nlm.nih.gov/pubmed/21589119
http://dx.doi.org/10.1107/S1600536810042571
Descripción
Sumario:In the title mol­ecular salt, C(8)H(13)N(2)O(+)·C(7)H(3)N(2)O(7) (−)·H(2)O, 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—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds, forming two-dimensional networks parallel to the bc plane. There is an intra­molecular O—H⋯O hydrogen bond in the 3,5-dinitro­salicylate anion, which generates an S(6) ring motif.