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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...

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Autores principales: Cooley, Tyler A., Riley, Sean, Biros, Shannon M., Staples, Richard J., Ngassa, Felix N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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.
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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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