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

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

Subjects

Subjects :
Crystallography
QD901-999

Details

Language :
English
ISSN :
16005368
Volume :
67
Issue :
4
Database :
Directory of Open Access Journals
Journal :
Acta Crystallographica Section E
Publication Type :
Academic Journal
Accession number :
edsdoj.78ee5b84bfc414b9d0d269c2fdd9b86
Document Type :
article
Full Text :
https://doi.org/10.1107/S1600536811010774