In the title mol-ecular 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 0.009â (1)â à . The cation undergoes an enol-keto tautomerism during the crystallization. In the crystal, the ion pairs and water mol-ecules are connected via O-Hâ¯O, N-Hâ¯O and C-Hâ¯O hydrogen bonds, forming two-dimensional networks parallel to the bc plane. There is an intra-molecular O-Hâ¯O hydrogen bond in the 3,5-dinitro-salicylate anion, which generates an S(6) ring motif.
2-Isopropyl-6-methyl-4-oxo-3,4-dihydro-pyrimidin-1-ium 2-carb-oxy-4,6-dinitro-phenolate monohydrate.
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作者:Hemamalini Madhukar, Fun Hoong-Kun
| 期刊: | Acta Crystallographica Section E-Structure Reports Online | 影响因子: | 0.600 |
| 时间: | 2010 | 起止号: | 2010 Oct 30; 66(Pt 11):o2950-1 |
| doi: | 10.1107/S1600536810042571 | ||
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