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(1H-1,3-Benzimidazole-5,6-dicarboxylic acid)(5-carboxyl-ato-1H-1,3-benzimidazole-6-carboxylic acid)silver(I) monohydrate.

ABSTRACT: The title compound, [Ag(C(9)H(5)N(2)O(4))(C(9)H(6)N(2)O(4))]·H(2)O, contains one independent Ag atom, a neutral 1H-benzimidazole-5,6-dicarboxylic acid (bdcH), its monodeprotonated form, i.e. 5-carboxyl-ato-1H-1,3-benzimidazole-6-carboxylic acid (bdc), and one solvent water mol-ecule, the latter being disordered over three sites with site occupancy factors of 0.375 (× 2) and 0.25. In addition, the H atom on one carboxylic acid residue is disordered, being connected to each of the O atoms 50% of the time. The Ag atom is in a virtually linear geometry defined by two N atoms derived from the bdc and bdcH ligands. The three-dimensional supra-molecular structure is stablized by extensive O-H?O and N-H?O hydrogen bonds. An intramolecular O-H?O hydrogen bond is also present.

SUBMITTER: Zhai H

PROVIDER: S-EPMC2971189 | biostudies-other | 2009 Oct

REPOSITORIES: biostudies-other

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(1H-1,3-Benzimidazole-5,6-dicarboxylic acid)(5-carboxyl-ato-1H-1,3-benzimidazole-6-carboxylic acid)silver(I) monohydrate.

Zhai Hong H

Acta crystallographica. Section E, Structure reports online 20091031 Pt 11

The title compound, [Ag(C(9)H(5)N(2)O(4))(C(9)H(6)N(2)O(4))]·H(2)O, contains one independent Ag atom, a neutral 1H-benzimidazole-5,6-dicarboxylic acid (bdcH), its monodeprotonated form, i.e. 5-carboxyl-ato-1H-1,3-benzimidazole-6-carboxylic acid (bdc), and one solvent water mol-ecule, the latter being disordered over three sites with site occupancy factors of 0.375 (× 2) and 0.25. In addition, the H atom on one carboxylic acid residue is disordered, being connected to each of the O atoms 50% of t ...[more]

PMID: 21578205

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