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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...
Autores principales: | , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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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 |
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. |
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