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2-Ethyl-1H-imidazole-4-carboxylate monohydrate
In the title compound, C(7)H(8)N(2)O(4)·H(2)O, the imidazole N atom is protonated and one of the carboxylate groups is deprontonated, forming a zwitterion. The two carboxyl groups are are approximately coplanar with the imidazole ring [O—C—C—C torsion angles = −176.8 (2) and 2.9 (4)° for one group...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3100020/ https://www.ncbi.nlm.nih.gov/pubmed/21754252 http://dx.doi.org/10.1107/S1600536811010774 |
Sumario: | In the title compound, C(7)H(8)N(2)O(4)·H(2)O, the imidazole N atom is protonated and one of the carboxylate groups is deprontonated, forming a zwitterion. The two carboxyl groups are are approximately coplanar with the imidazole ring [O—C—C—C torsion angles = −176.8 (2) and 2.9 (4)° for one group and −4.6 (3) and 176.4 (2)° for the other] and have an intramolecular O—H⋯O hydrogen bond between them. The water molecule is linked to the organic molecules via an N—H⋯O hydrogen bonds. Intermolecular O—H⋯O and N—H⋯O hydrogen bonds are found in the crystal structure. |
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