Crystal structure of 1-bromo-4-methane­sulfonyl-2,3-di­methyl­benzene

The title compound, C(9)H(11)BrO(2)S, is an important inter­mediate in the synthesis of the herbicide Topramezone. In the crystal, there are weak inter­molecular Br⋯O inter­actions of 3.286 (4) Å. The dihedral angle between the plane of the benzene ring and that defined by the O—S—O atoms of the met...

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Detalles Bibliográficos
Autores principales: Dai, Shangwei, Wang, Yifeng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719929/
https://www.ncbi.nlm.nih.gov/pubmed/26870557
http://dx.doi.org/10.1107/S205698901502099X
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author Dai, Shangwei
Wang, Yifeng
author_facet Dai, Shangwei
Wang, Yifeng
author_sort Dai, Shangwei
collection PubMed
description The title compound, C(9)H(11)BrO(2)S, is an important inter­mediate in the synthesis of the herbicide Topramezone. In the crystal, there are weak inter­molecular Br⋯O inter­actions of 3.286 (4) Å. The dihedral angle between the plane of the benzene ring and that defined by the O—S—O atoms of the methane­sulfonyl group is 49.06 (3)°.
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spelling pubmed-47199292016-02-11 Crystal structure of 1-bromo-4-methane­sulfonyl-2,3-di­methyl­benzene Dai, Shangwei Wang, Yifeng Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(9)H(11)BrO(2)S, is an important inter­mediate in the synthesis of the herbicide Topramezone. In the crystal, there are weak inter­molecular Br⋯O inter­actions of 3.286 (4) Å. The dihedral angle between the plane of the benzene ring and that defined by the O—S—O atoms of the methane­sulfonyl group is 49.06 (3)°. International Union of Crystallography 2015-11-21 /pmc/articles/PMC4719929/ /pubmed/26870557 http://dx.doi.org/10.1107/S205698901502099X Text en © Dai and Wang 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 Data Reports
Dai, Shangwei
Wang, Yifeng
Crystal structure of 1-bromo-4-methane­sulfonyl-2,3-di­methyl­benzene
title Crystal structure of 1-bromo-4-methane­sulfonyl-2,3-di­methyl­benzene
title_full Crystal structure of 1-bromo-4-methane­sulfonyl-2,3-di­methyl­benzene
title_fullStr Crystal structure of 1-bromo-4-methane­sulfonyl-2,3-di­methyl­benzene
title_full_unstemmed Crystal structure of 1-bromo-4-methane­sulfonyl-2,3-di­methyl­benzene
title_short Crystal structure of 1-bromo-4-methane­sulfonyl-2,3-di­methyl­benzene
title_sort crystal structure of 1-bromo-4-methane­sulfonyl-2,3-di­methyl­benzene
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719929/
https://www.ncbi.nlm.nih.gov/pubmed/26870557
http://dx.doi.org/10.1107/S205698901502099X
work_keys_str_mv AT daishangwei crystalstructureof1bromo4methanesulfonyl23dimethylbenzene
AT wangyifeng crystalstructureof1bromo4methanesulfonyl23dimethylbenzene

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