A third monoclinic polymorph of 3,4,5-trihy­droxy­benzoic acid monohydrate

The title compound, C(7)H(6)O(5)·H(2)O, is a new polymorph of the structures reported by Jiang et al. (2000 ▶) [Acta Cryst. C56, 594–595] and Okabe et al. (2001 ▶) [Acta Cryst. E57, o764–o766]. The gallic acid mol­ecule is essentially planar (r.m.s. deviation = 0.550 Å). An intra­molecular O—H⋯O hyd...

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Detalles Bibliográficos
Autores principales: Demirtaş, Güneş, Dege, Necmi, Büyükgüngör, Orhan
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/PMC3120380/
https://www.ncbi.nlm.nih.gov/pubmed/21754875
http://dx.doi.org/10.1107/S1600536811018848
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author Demirtaş, Güneş
Dege, Necmi
Büyükgüngör, Orhan
author_facet Demirtaş, Güneş
Dege, Necmi
Büyükgüngör, Orhan
author_sort Demirtaş, Güneş
collection PubMed
description The title compound, C(7)H(6)O(5)·H(2)O, is a new polymorph of the structures reported by Jiang et al. (2000 ▶) [Acta Cryst. C56, 594–595] and Okabe et al. (2001 ▶) [Acta Cryst. E57, o764–o766]. The gallic acid mol­ecule is essentially planar (r.m.s. deviation = 0.550 Å). An intra­molecular O—H⋯O hydrogen bond occurs in the gallic acid mol­ecule, which is linked to the water mol­ecule by a further O—H⋯O hydrogen bond. In the crystal, the components are linked by O—H⋯O hydrogen bonds. The hydrogen-bonding pattern differs from those reported for the previous polymorphs.
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spelling pubmed-31203802011-07-13 A third monoclinic polymorph of 3,4,5-trihy­droxy­benzoic acid monohydrate Demirtaş, Güneş Dege, Necmi Büyükgüngör, Orhan Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(7)H(6)O(5)·H(2)O, is a new polymorph of the structures reported by Jiang et al. (2000 ▶) [Acta Cryst. C56, 594–595] and Okabe et al. (2001 ▶) [Acta Cryst. E57, o764–o766]. The gallic acid mol­ecule is essentially planar (r.m.s. deviation = 0.550 Å). An intra­molecular O—H⋯O hydrogen bond occurs in the gallic acid mol­ecule, which is linked to the water mol­ecule by a further O—H⋯O hydrogen bond. In the crystal, the components are linked by O—H⋯O hydrogen bonds. The hydrogen-bonding pattern differs from those reported for the previous polymorphs. International Union of Crystallography 2011-05-25 /pmc/articles/PMC3120380/ /pubmed/21754875 http://dx.doi.org/10.1107/S1600536811018848 Text en © Demirtaş et al. 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
Demirtaş, Güneş
Dege, Necmi
Büyükgüngör, Orhan
A third monoclinic polymorph of 3,4,5-trihy­droxy­benzoic acid monohydrate
title A third monoclinic polymorph of 3,4,5-trihy­droxy­benzoic acid monohydrate
title_full A third monoclinic polymorph of 3,4,5-trihy­droxy­benzoic acid monohydrate
title_fullStr A third monoclinic polymorph of 3,4,5-trihy­droxy­benzoic acid monohydrate
title_full_unstemmed A third monoclinic polymorph of 3,4,5-trihy­droxy­benzoic acid monohydrate
title_short A third monoclinic polymorph of 3,4,5-trihy­droxy­benzoic acid monohydrate
title_sort third monoclinic polymorph of 3,4,5-trihy­droxy­benzoic acid monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120380/
https://www.ncbi.nlm.nih.gov/pubmed/21754875
http://dx.doi.org/10.1107/S1600536811018848
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