首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >(1H-13-Benzimidazole-56-dicarboxylic acid)(5-carboxyl­ato-1H-13-benzimidazole-6-carboxylic acid)silver(I) monohydrate
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(1H-13-Benzimidazole-56-dicarboxylic acid)(5-carboxyl­ato-1H-13-benzimidazole-6-carboxylic acid)silver(I) monohydrate

机译:一水合银(I)(1H-13-苯并咪唑-56-二羧酸)(5-羧基­-1H-13-苯并咪唑-6-羧酸)

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摘要

The title compound, [Ag(C9H5N2O4)(C9H6N2O4)]·H2O, contains one independent Ag atom, a neutral 1H-benzimidazole-5,6-dicarboxylic acid (bdcH), its monodeprotonated form, i.e. 5-carboxyl­ato-1H-1,3-benzimidazole-6-carboxylic acid (bdc), and one solvent water mol­ecule, 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 supra­molecular structure is stablized by extensive O—H⋯O and N—H⋯O hydrogen bonds. An intramolecular O—H⋯O hydrogen bond is also present.
机译:标题化合物[Ag(C9H5N2O4)(C9H6N2O4)]·H2O包含一个独立的Ag原子,中性的1H-苯并咪唑-5,6-二羧酸(bdcH),其单去质子化形式,即5-羧基-1H-1 1,3-苯并咪唑-6-羧酸(bdc)和一个溶剂水分子,后者在三个位置上无序分布,其位置占用因子分别为0.375(×2)和0.25。另外,一个羧酸残基上的H原子是无序的,50%的时间与每个O原子相连。 Ag原子实际上是线性的几何结构,由从bdc和bdcH配体衍生的两个N原子定义。三维超分子结构通过广泛的O-H⋯O和N-H⋯O氢键稳定。还存在分子内OH-H = O氢键。

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