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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...

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Detalles Bibliográficos
Autores principales: Li, Shi-Jie, Liu, Juan-Hua, Song, Wen-Dong, Li, Xiao-Fei, Miao, Dong-Liang
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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
Descripción
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.