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Trimesic acid dimethyl sulfoxide solvate: space group revision

The structure of the title solvate, C(9)H(6)O(6)·C(2)H(6)OS, was determined 30 years ago [Herbstein, Kapon & Wasserman (1978 ▶). Acta Cryst. B34, 1613–1617], with data collected at room temperature, and refined in the space group P2(1). The present redetermination, based on high-resolution diffr...

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Detalles Bibliográficos
Autores principales: Bernès, Sylvain, Hernández, Guadalupe, Portillo, Roberto, Gutiérrez, René
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961820/
https://www.ncbi.nlm.nih.gov/pubmed/21202984
http://dx.doi.org/10.1107/S1600536808018655
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author Bernès, Sylvain
Hernández, Guadalupe
Portillo, Roberto
Gutiérrez, René
author_facet Bernès, Sylvain
Hernández, Guadalupe
Portillo, Roberto
Gutiérrez, René
author_sort Bernès, Sylvain
collection PubMed
description The structure of the title solvate, C(9)H(6)O(6)·C(2)H(6)OS, was determined 30 years ago [Herbstein, Kapon & Wasserman (1978 ▶). Acta Cryst. B34, 1613–1617], with data collected at room temperature, and refined in the space group P2(1). The present redetermination, based on high-resolution diffraction data, shows that the actual space group is more likely to be P2(1)/m. The crystal structure contains layers of trimesic acid molecules lying on mirror planes. A mirror plane also passes through the S and O atoms of the solvent molecule. The molecules in each layer are inter­connected through strong O—H⋯O hydrogen bonds, forming a two-dimensional supra­molecular network within each layer. The donor groups are the hydroxyls of the trimesic acid mol­ecules, while the acceptors are the carbonyl or the sulfoxide O atoms.
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spelling pubmed-29618202010-12-30 Trimesic acid dimethyl sulfoxide solvate: space group revision Bernès, Sylvain Hernández, Guadalupe Portillo, Roberto Gutiérrez, René Acta Crystallogr Sect E Struct Rep Online Organic Papers The structure of the title solvate, C(9)H(6)O(6)·C(2)H(6)OS, was determined 30 years ago [Herbstein, Kapon & Wasserman (1978 ▶). Acta Cryst. B34, 1613–1617], with data collected at room temperature, and refined in the space group P2(1). The present redetermination, based on high-resolution diffraction data, shows that the actual space group is more likely to be P2(1)/m. The crystal structure contains layers of trimesic acid molecules lying on mirror planes. A mirror plane also passes through the S and O atoms of the solvent molecule. The molecules in each layer are inter­connected through strong O—H⋯O hydrogen bonds, forming a two-dimensional supra­molecular network within each layer. The donor groups are the hydroxyls of the trimesic acid mol­ecules, while the acceptors are the carbonyl or the sulfoxide O atoms. International Union of Crystallography 2008-06-28 /pmc/articles/PMC2961820/ /pubmed/21202984 http://dx.doi.org/10.1107/S1600536808018655 Text en © Bernès et al. 2008 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
Bernès, Sylvain
Hernández, Guadalupe
Portillo, Roberto
Gutiérrez, René
Trimesic acid dimethyl sulfoxide solvate: space group revision
title Trimesic acid dimethyl sulfoxide solvate: space group revision
title_full Trimesic acid dimethyl sulfoxide solvate: space group revision
title_fullStr Trimesic acid dimethyl sulfoxide solvate: space group revision
title_full_unstemmed Trimesic acid dimethyl sulfoxide solvate: space group revision
title_short Trimesic acid dimethyl sulfoxide solvate: space group revision
title_sort trimesic acid dimethyl sulfoxide solvate: space group revision
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961820/
https://www.ncbi.nlm.nih.gov/pubmed/21202984
http://dx.doi.org/10.1107/S1600536808018655
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AT gutierrezrene trimesicaciddimethylsulfoxidesolvatespacegrouprevision