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5-Carb-oxy-2-isopropyl-1H-imidazol-3-ium-4-carboxyl-ate monohydrate.

ABSTRACT: In the title compound, C(8)H(10)N(2)O(4)·H(2)O, the imidazole N atom is protonated and one of the carboxyl-ate groups is deprotoned, forming a zwitterion. An intra-molecular O-H?O hydrogen bond occurs. The crystal structure is stabilized by inter-molecular N-H?O and O-H?O hydrogen bonds. In addition, inter-molecular N-H?O and O-H?O hydrogen bonds link the mol-ecules into two-dimensional networks parallel to (10[Formula: see text]).

SUBMITTER: Du CJ

PROVIDER: S-EPMC3152056 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature

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5-Carb-oxy-2-isopropyl-1H-imidazol-3-ium-4-carboxyl-ate monohydrate.

Du Chao-Jun CJ Shi Zheng-Hai ZH Wang Li-Sheng LS Du Chao-Ling CL

Acta crystallographica. Section E, Structure reports online 20110630 Pt 7

In the title compound, C(8)H(10)N(2)O(4)·H(2)O, the imidazole N atom is protonated and one of the carboxyl-ate groups is deprotoned, forming a zwitterion. An intra-molecular O-H⋯O hydrogen bond occurs. The crystal structure is stabilized by inter-molecular N-H⋯O and O-H⋯O hydrogen bonds. In addition, inter-molecular N-H⋯O and O-H⋯O hydrogen bonds link the mol-ecules into two-dimensional networks parallel to (10[Formula: see text]). ...[more]

PMID: 21837204

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