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:
Organic Papers
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
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author Ng, Seik Weng
author_facet Ng, Seik Weng
author_sort Ng, Seik Weng
collection PubMed
description 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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spelling pubmed-32008072011-11-06 A triclinic modification of 3,4-dihy­droxy­benzoic acid monohydrate Ng, Seik Weng Acta Crystallogr Sect E Struct Rep Online Organic Papers 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. International Union of Crystallography 2011-08-27 /pmc/articles/PMC3200807/ /pubmed/22059032 http://dx.doi.org/10.1107/S1600536811034635 Text en © Seik Weng Ng 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Ng, Seik Weng
A triclinic modification of 3,4-dihy­droxy­benzoic acid monohydrate
title A triclinic modification of 3,4-dihy­droxy­benzoic acid monohydrate
title_full A triclinic modification of 3,4-dihy­droxy­benzoic acid monohydrate
title_fullStr A triclinic modification of 3,4-dihy­droxy­benzoic acid monohydrate
title_full_unstemmed A triclinic modification of 3,4-dihy­droxy­benzoic acid monohydrate
title_short A triclinic modification of 3,4-dihy­droxy­benzoic acid monohydrate
title_sort triclinic modification of 3,4-dihy­droxy­benzoic acid monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200807/
https://www.ncbi.nlm.nih.gov/pubmed/22059032
http://dx.doi.org/10.1107/S1600536811034635
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