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Dimethyl-ammonium 5-carb-oxy-2-(1-oxo-1?(5)-pyridin-2-yl)-1H-imidazole-4-car-box-yl-ate.

ABSTRACT: In the title salt, C(2)H(8)N(+)·C(10)H(6)N(3)O(5) (-), the imidazole-carboxyl-ate anion is essentially planar [maximum deviation from the least-squares plane = 0.046?(5)?Å], with a dihedral angle between the rings of 2.7?(2)°. This conformation is maintained by the presence of both intra-molecular carb-oxy-carboxyl-ate O-H?O and imidazole-oxide N-H?O hydrogen bonds. Iin the crystal, cation-carboxyl-ate N-H?O and cation-imidazole N-H?N hydrogen bonds result in chains along the b axis.

SUBMITTER: Dai C

PROVIDER: S-EPMC3415035 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

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Dimethyl-ammonium 5-carb-oxy-2-(1-oxo-1λ(5)-pyridin-2-yl)-1H-imidazole-4-car-box-yl-ate.

Dai Chuntao C Nie Jianhua J Lin Yuehua Y Wang Jun J

Acta crystallographica. Section E, Structure reports online 20120728 Pt 8

In the title salt, C(2)H(8)N(+)·C(10)H(6)N(3)O(5) (-), the imidazole-carboxyl-ate anion is essentially planar [maximum deviation from the least-squares plane = 0.046 (5) Å], with a dihedral angle between the rings of 2.7 (2)°. This conformation is maintained by the presence of both intra-molecular carb-oxy-carboxyl-ate O-H⋯O and imidazole-oxide N-H⋯O hydrogen bonds. Iin the crystal, cation-carboxyl-ate N-H⋯O and cation-imidazole N-H⋯N hydrogen bonds result in chains along the b axis. ...[more]

PMID: 22905022

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