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A triclinic modification of 3,4-dihydroxybenzoic acid monohydrate
The unit cell of the title compound, C(7)H(6)O(4)·H(2)O, features four independent formula units; the individual carboxylic acid molecules themselves are nearly planar (r.m.s. deviations = 0.0189, 0.0334, 0.0356 and 0.0441 Å). Two independent molecules each form two hydrogen bonds by acid–carbon...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200807/ https://www.ncbi.nlm.nih.gov/pubmed/22059032 http://dx.doi.org/10.1107/S1600536811034635 |
Sumario: | The unit cell of the title compound, C(7)H(6)O(4)·H(2)O, features four independent formula units; the individual carboxylic acid molecules themselves are nearly planar (r.m.s. deviations = 0.0189, 0.0334, 0.0356 and 0.0441 Å). Two independent molecules each form two hydrogen bonds by acid–carbonyl O—H⋯O interactions and the dimers are also nearly planar (r.m.s. deviations = 0.039 and 0.049 Å). The two independent dimers are aligned at 44.5 (1)°. Other O—H⋯O interactions involving the hydroxy groups and water molecules give rise to a three-dimensional network. |
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