Cargando…

5-Chloro-2-methyl-3-phenyl­sulfonyl-1-benzofuran

The title compound, C(15)H(11)ClO(3)S, was prepared by the oxidation of 5-chloro-2-methyl-3-phenyl­sulfanyl-1-benzofuran with 3-chloro­peroxy­benzoic acid. There are two symmetry-independent mol­ecules in the asymmetric unit. The dihedral angles formed by the phenyl ring and the plane of the benzofu...

Descripción completa

Detalles Bibliográficos
Autores principales: Choi, Hong Dae, Seo, Pil Ja, Son, Byeng Wha, Lee, Uk
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961728/
https://www.ncbi.nlm.nih.gov/pubmed/21202832
http://dx.doi.org/10.1107/S1600536808015699
_version_ 1782189051901640704
author Choi, Hong Dae
Seo, Pil Ja
Son, Byeng Wha
Lee, Uk
author_facet Choi, Hong Dae
Seo, Pil Ja
Son, Byeng Wha
Lee, Uk
author_sort Choi, Hong Dae
collection PubMed
description The title compound, C(15)H(11)ClO(3)S, was prepared by the oxidation of 5-chloro-2-methyl-3-phenyl­sulfanyl-1-benzofuran with 3-chloro­peroxy­benzoic acid. There are two symmetry-independent mol­ecules in the asymmetric unit. The dihedral angles formed by the phenyl ring and the plane of the benzofuran system are 77.80 (8) and 78.34 (8)°. The crystal structure is stabilized by aromatic π–π stacking inter­actions between the furan ring and the benzene rings of neighbouring benzofuran fragments from two symmetry-independent mol­ecules; the centroid–centroid distances within the stacks are 3.689 (4), 3.702 (4), 3.825 (4) and 3.826 (4) Å. Additionally, the stacked mol­ecules exhibit inter- and intra­molecular C—H⋯O inter­actions.
format Text
id pubmed-2961728
institution National Center for Biotechnology Information
language English
publishDate 2008
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29617282010-12-30 5-Chloro-2-methyl-3-phenyl­sulfonyl-1-benzofuran Choi, Hong Dae Seo, Pil Ja Son, Byeng Wha Lee, Uk Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(15)H(11)ClO(3)S, was prepared by the oxidation of 5-chloro-2-methyl-3-phenyl­sulfanyl-1-benzofuran with 3-chloro­peroxy­benzoic acid. There are two symmetry-independent mol­ecules in the asymmetric unit. The dihedral angles formed by the phenyl ring and the plane of the benzofuran system are 77.80 (8) and 78.34 (8)°. The crystal structure is stabilized by aromatic π–π stacking inter­actions between the furan ring and the benzene rings of neighbouring benzofuran fragments from two symmetry-independent mol­ecules; the centroid–centroid distances within the stacks are 3.689 (4), 3.702 (4), 3.825 (4) and 3.826 (4) Å. Additionally, the stacked mol­ecules exhibit inter- and intra­molecular C—H⋯O inter­actions. International Union of Crystallography 2008-06-07 /pmc/articles/PMC2961728/ /pubmed/21202832 http://dx.doi.org/10.1107/S1600536808015699 Text en © Choi 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
Choi, Hong Dae
Seo, Pil Ja
Son, Byeng Wha
Lee, Uk
5-Chloro-2-methyl-3-phenyl­sulfonyl-1-benzofuran
title 5-Chloro-2-methyl-3-phenyl­sulfonyl-1-benzofuran
title_full 5-Chloro-2-methyl-3-phenyl­sulfonyl-1-benzofuran
title_fullStr 5-Chloro-2-methyl-3-phenyl­sulfonyl-1-benzofuran
title_full_unstemmed 5-Chloro-2-methyl-3-phenyl­sulfonyl-1-benzofuran
title_short 5-Chloro-2-methyl-3-phenyl­sulfonyl-1-benzofuran
title_sort 5-chloro-2-methyl-3-phenyl­sulfonyl-1-benzofuran
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961728/
https://www.ncbi.nlm.nih.gov/pubmed/21202832
http://dx.doi.org/10.1107/S1600536808015699
work_keys_str_mv AT choihongdae 5chloro2methyl3phenylsulfonyl1benzofuran
AT seopilja 5chloro2methyl3phenylsulfonyl1benzofuran
AT sonbyengwha 5chloro2methyl3phenylsulfonyl1benzofuran
AT leeuk 5chloro2methyl3phenylsulfonyl1benzofuran