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1H-Benzimidazol-3-ium-2-carboxyl-ate dihydrate.

ABSTRACT: The title compound, C(8)H(6)N(2)O(2)·2H(2)O, crystallized as a zwitterion with the carboxyl group deprotonated and the imidazole group protonated. The dihedral angle between the benzimidazole ring and the pendant -CO(2) group is 0.62?(2)°. In the crystal, mol-ecules are linked into a three-dimensional network by N-H?O and O-H?O hydrogen bonds.

SUBMITTER: Yao XJ

PROVIDER: S-EPMC3120509 | biostudies-other | 2011 Jun

REPOSITORIES: biostudies-other

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1H-Benzimidazol-3-ium-2-carboxyl-ate dihydrate.

Yao Xing-Jun XJ Yuan Qian Q

Acta crystallographica. Section E, Structure reports online 20110514 Pt 6

The title compound, C(8)H(6)N(2)O(2)·2H(2)O, crystallized as a zwitterion with the carboxyl group deprotonated and the imidazole group protonated. The dihedral angle between the benzimidazole ring and the pendant -CO(2) group is 0.62 (2)°. In the crystal, mol-ecules are linked into a three-dimensional network by N-H⋯O and O-H⋯O hydrogen bonds. ...[more]

PMID: 21754784

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