2-Ethyl-1H-imidazole-4-carboxylate monohydrate

作者：Li Shi Jie; Liu Juan Hua; Song Wen Dong^*; Li Xiao Fei; Miao Dong Liang

来源：Acta Crystallographica Section E: Structure Reports Online , 2011, 67.

DOI：10.1107/S1600536811010774

In the title compound, C7H8N2O4 center dot H2O, 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)degrees for one group and -4.6 (3) and 176.4 (2)degrees 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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  广东海洋大学