3-(4-Bromo­phenyl­sulfon­yl)-5-cyclo­hexyl-2-methyl-1-benzofuran

In the title compound, C(21)H(21)BrO(3)S, the cyclo­hexyl ring adopts a chair conformation. The 4-bromo­phenyl ring makes a dihedral angle of 80.88 (6)° with the mean plane of the benzofuran fragment. An intra­molecular C—H⋯O hydrogen bond is formed between an O atom of the sulfonyl group and one H...

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Detalles Bibliográficos
Autores principales: Choi, Hong Dae, Seo, Pil Ja, Lee, Uk
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3275228/
https://www.ncbi.nlm.nih.gov/pubmed/22347084
http://dx.doi.org/10.1107/S1600536812001791
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author Choi, Hong Dae
Seo, Pil Ja
Lee, Uk
author_facet Choi, Hong Dae
Seo, Pil Ja
Lee, Uk
author_sort Choi, Hong Dae
collection PubMed
description In the title compound, C(21)H(21)BrO(3)S, the cyclo­hexyl ring adopts a chair conformation. The 4-bromo­phenyl ring makes a dihedral angle of 80.88 (6)° with the mean plane of the benzofuran fragment. An intra­molecular C—H⋯O hydrogen bond is formed between an O atom of the sulfonyl group and one H atom of the aromatic ring such that a five-membered ring is formed. The crystal packing is stabilized by an inter­molecular C—H⋯O hydrogen bond, which links the mol­ecules into chains with graph-set notation C(6) running parallel to the c axis, and π–π stacking inter­actions [centroid–centroid distance = 3.6129 (12) Å].
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spelling pubmed-32752282012-02-15 3-(4-Bromo­phenyl­sulfon­yl)-5-cyclo­hexyl-2-methyl-1-benzofuran Choi, Hong Dae Seo, Pil Ja Lee, Uk Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(21)H(21)BrO(3)S, the cyclo­hexyl ring adopts a chair conformation. The 4-bromo­phenyl ring makes a dihedral angle of 80.88 (6)° with the mean plane of the benzofuran fragment. An intra­molecular C—H⋯O hydrogen bond is formed between an O atom of the sulfonyl group and one H atom of the aromatic ring such that a five-membered ring is formed. The crystal packing is stabilized by an inter­molecular C—H⋯O hydrogen bond, which links the mol­ecules into chains with graph-set notation C(6) running parallel to the c axis, and π–π stacking inter­actions [centroid–centroid distance = 3.6129 (12) Å]. International Union of Crystallography 2012-01-21 /pmc/articles/PMC3275228/ /pubmed/22347084 http://dx.doi.org/10.1107/S1600536812001791 Text en © Choi et al. 2012 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
Choi, Hong Dae
Seo, Pil Ja
Lee, Uk
3-(4-Bromo­phenyl­sulfon­yl)-5-cyclo­hexyl-2-methyl-1-benzofuran
title 3-(4-Bromo­phenyl­sulfon­yl)-5-cyclo­hexyl-2-methyl-1-benzofuran
title_full 3-(4-Bromo­phenyl­sulfon­yl)-5-cyclo­hexyl-2-methyl-1-benzofuran
title_fullStr 3-(4-Bromo­phenyl­sulfon­yl)-5-cyclo­hexyl-2-methyl-1-benzofuran
title_full_unstemmed 3-(4-Bromo­phenyl­sulfon­yl)-5-cyclo­hexyl-2-methyl-1-benzofuran
title_short 3-(4-Bromo­phenyl­sulfon­yl)-5-cyclo­hexyl-2-methyl-1-benzofuran
title_sort 3-(4-bromo­phenyl­sulfon­yl)-5-cyclo­hexyl-2-methyl-1-benzofuran
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3275228/
https://www.ncbi.nlm.nih.gov/pubmed/22347084
http://dx.doi.org/10.1107/S1600536812001791
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