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Crystal structure of 2,4-dinitrophenyl 4-methylbenzenesulfonate: a new polymorph
The title compound, C(13)H(10)N(2)O(7)S, was synthesized via a nucleophilic substitution reaction between 2,4-dinitrophenol and p-toluenesulfonyl chloride. This crystal structure is a polymorph of CSD entry WUVYUH [Vembu et al. (2003). Acta Cryst, E59, o378–380]. The aromatic substituents on the...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4555369/ https://www.ncbi.nlm.nih.gov/pubmed/26396855 http://dx.doi.org/10.1107/S2056989015015650 |
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author | Cooley, Tyler A. Riley, Sean Biros, Shannon M. Staples, Richard J. Ngassa, Felix N. |
author_facet | Cooley, Tyler A. Riley, Sean Biros, Shannon M. Staples, Richard J. Ngassa, Felix N. |
author_sort | Cooley, Tyler A. |
collection | PubMed |
description | The title compound, C(13)H(10)N(2)O(7)S, was synthesized via a nucleophilic substitution reaction between 2,4-dinitrophenol and p-toluenesulfonyl chloride. This crystal structure is a polymorph of CSD entry WUVYUH [Vembu et al. (2003). Acta Cryst, E59, o378–380]. The aromatic substituents on the sulfonate group are oriented gauche to one another with a C—O—S—C torsion angle of −62.0 (3)°. The supramolecular features that contribute to the crystal stability are offset π–π [centroid–centroid distance = 3.729 (2) Å] and multiple C—H⋯O interactions. |
format | Online Article Text |
id | pubmed-4555369 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-45553692015-09-22 Crystal structure of 2,4-dinitrophenyl 4-methylbenzenesulfonate: a new polymorph Cooley, Tyler A. Riley, Sean Biros, Shannon M. Staples, Richard J. Ngassa, Felix N. Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(13)H(10)N(2)O(7)S, was synthesized via a nucleophilic substitution reaction between 2,4-dinitrophenol and p-toluenesulfonyl chloride. This crystal structure is a polymorph of CSD entry WUVYUH [Vembu et al. (2003). Acta Cryst, E59, o378–380]. The aromatic substituents on the sulfonate group are oriented gauche to one another with a C—O—S—C torsion angle of −62.0 (3)°. The supramolecular features that contribute to the crystal stability are offset π–π [centroid–centroid distance = 3.729 (2) Å] and multiple C—H⋯O interactions. International Union of Crystallography 2015-08-26 /pmc/articles/PMC4555369/ /pubmed/26396855 http://dx.doi.org/10.1107/S2056989015015650 Text en © Cooley et al. 2015 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 | Research Communications Cooley, Tyler A. Riley, Sean Biros, Shannon M. Staples, Richard J. Ngassa, Felix N. Crystal structure of 2,4-dinitrophenyl 4-methylbenzenesulfonate: a new polymorph |
title | Crystal structure of 2,4-dinitrophenyl 4-methylbenzenesulfonate: a new polymorph |
title_full | Crystal structure of 2,4-dinitrophenyl 4-methylbenzenesulfonate: a new polymorph |
title_fullStr | Crystal structure of 2,4-dinitrophenyl 4-methylbenzenesulfonate: a new polymorph |
title_full_unstemmed | Crystal structure of 2,4-dinitrophenyl 4-methylbenzenesulfonate: a new polymorph |
title_short | Crystal structure of 2,4-dinitrophenyl 4-methylbenzenesulfonate: a new polymorph |
title_sort | crystal structure of 2,4-dinitrophenyl 4-methylbenzenesulfonate: a new polymorph |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4555369/ https://www.ncbi.nlm.nih.gov/pubmed/26396855 http://dx.doi.org/10.1107/S2056989015015650 |
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