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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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Detalles Bibliográficos
Autor principal: Ng, Seik Weng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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
Descripción
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.