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

Authors :
Shi-Jie Li
Xiaofei Li
Juan-Hua Liu
Wen-Dong Song
Dong-Liang Miao
Source :
Acta Crystallographica Section E: Structure Reports, Acta Crystallographica Section E, Vol 67, Iss 4, Pp o996-o997 (2011)
Publication Year :
2011
Publisher :
International Union of Crystallography (IUCr), 2011.

Abstract

In the title compound, C7H8N2O4·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)° 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.

Details

ISSN :
16005368
Volume :
67
Database :
OpenAIRE
Journal :
Acta Crystallographica Section E Structure Reports Online
Accession number :
edsair.doi.dedup.....20a1b5ad3984a453199b1a86629fb0e5
Full Text :
https://doi.org/10.1107/s1600536811010774