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4-Carboxy-2-methyl-1H-imidazol-3-ium-5-carboxylate monohydrate
In the title compound, C(6)H(6)N(2)O(4)·H(2)O, one carboxyl group is deprotonated and one imidazole N atom is protonated. The organic molecule, excluding methyl H atoms, is essentially planar, with an r.m.s. deviation of 0.0156 (1) Å. In the crystal structure, intermolecular N—H⋯O hydrogen bonds l...
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2008
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2967941/ https://www.ncbi.nlm.nih.gov/pubmed/21581665 http://dx.doi.org/10.1107/S1600536808040221 |
Sumario: | In the title compound, C(6)H(6)N(2)O(4)·H(2)O, one carboxyl group is deprotonated and one imidazole N atom is protonated. The organic molecule, excluding methyl H atoms, is essentially planar, with an r.m.s. deviation of 0.0156 (1) Å. In the crystal structure, intermolecular N—H⋯O hydrogen bonds link molecules into chains along the b axis; these chains are further linked via O—H⋯O hydrogen bonds involving the water O atoms and carboxyl O atoms, generating a two-dimensional supramolecular framework. |
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