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3-Carboxymethyl-1,3-benzimidazolium-1-acetate monohydrate
The title compound, C(11)H(10)N(2)O(4)·H(2)O, has a zwitterionic structure, in which the benzimidazole ring system is planar, with a maximum deviation of 0.007 (3) Å. The carboxyl/carboxylate groups adopt a trans configuration. In the crystal structure, intermolecular O—H⋯O hydrogen bonds involvi...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977158/ https://www.ncbi.nlm.nih.gov/pubmed/21583676 http://dx.doi.org/10.1107/S1600536809027391 |
Sumario: | The title compound, C(11)H(10)N(2)O(4)·H(2)O, has a zwitterionic structure, in which the benzimidazole ring system is planar, with a maximum deviation of 0.007 (3) Å. The carboxyl/carboxylate groups adopt a trans configuration. In the crystal structure, intermolecular O—H⋯O hydrogen bonds involving the hydroxy/oxide O atoms link the molecules into a one-dimensional chain. These chains are further linked by O—H⋯O hydrogen bonds involving the water molecules into a two-dimensional network. π–π contacts between the benzimidazole rings [centroid–centroid distance = 3.5716 (4) Å] lead to the formation of a three-dimensional supramolecular structure. |
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