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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...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2008
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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. |
format | Text |
id | pubmed-2961820 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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