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1H-Imidazol-3-ium-4-carboxyl-ate.

ABSTRACT: In the title compound, C(4)H(4)N(2)O(2), both imidazole N atoms are protonated and carboxyl-ate group is deprotonated, resulting in a zwitterion. The mol-ecule is essentially planar, with an r.m.s. deviation of 0.012?(1)?Å. In the crystal, N-H?O hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distance = 3.674?(2)?Å] between the imidazole rings link the mol-ecules into a three-dimensional supra-molecular network.

SUBMITTER: Cao Q

PROVIDER: S-EPMC3254480 | biostudies-other | 2012 Jan

REPOSITORIES: biostudies-other

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1H-Imidazol-3-ium-4-carboxyl-ate.

Cao Qiang Q Duan Bao-Rong BR Zhu Bin B Cao Zhen Z

Acta crystallographica. Section E, Structure reports online 20111217 Pt 1

In the title compound, C(4)H(4)N(2)O(2), both imidazole N atoms are protonated and carboxyl-ate group is deprotonated, resulting in a zwitterion. The mol-ecule is essentially planar, with an r.m.s. deviation of 0.012 (1) Å. In the crystal, N-H⋯O hydrogen bonds and π-π stacking inter-actions [centroid-centroid distance = 3.674 (2) Å] between the imidazole rings link the mol-ecules into a three-dimensional supra-molecular network. ...[more]

PMID: 22259422

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