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5-Iodo-2,7-dimethyl-3-phenylsulfonyl-1-benzofuran
The title compound, C(16)H(13)IO(3)S, was prepared by the oxidation of 5-iodo-2,7-dimethyl-3-phenylsulfanyl-1-benzofuran with 3-chloroperoxybenzoic acid. The phenyl ring makes a dihedral angle of 76.31 (8)° with the plane of the benzofuran fragment. The crystal structure is stabilized by aromatic...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2008
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961136/ https://www.ncbi.nlm.nih.gov/pubmed/21202411 http://dx.doi.org/10.1107/S1600536808011240 |
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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(16)H(13)IO(3)S, was prepared by the oxidation of 5-iodo-2,7-dimethyl-3-phenylsulfanyl-1-benzofuran with 3-chloroperoxybenzoic acid. The phenyl ring makes a dihedral angle of 76.31 (8)° with the plane of the benzofuran fragment. The crystal structure is stabilized by aromatic π–π interactions between the furan and benzene rings of neighbouring molecules, and between the benzene rings of neighbouring molecules; the centroid–centroid distances within the stack are 3.700 (4) and 3.788 (4) Å. In addition, the crystal structure exhibits inter- and intramolecular C—H⋯O interactions, and an I⋯O halogen bond with an I⋯O distance of 3.282 (2) Å and a nearly linear C—I⋯O angle of 165.69 (8)°. |
format | Text |
id | pubmed-2961136 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29611362010-12-30 5-Iodo-2,7-dimethyl-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(16)H(13)IO(3)S, was prepared by the oxidation of 5-iodo-2,7-dimethyl-3-phenylsulfanyl-1-benzofuran with 3-chloroperoxybenzoic acid. The phenyl ring makes a dihedral angle of 76.31 (8)° with the plane of the benzofuran fragment. The crystal structure is stabilized by aromatic π–π interactions between the furan and benzene rings of neighbouring molecules, and between the benzene rings of neighbouring molecules; the centroid–centroid distances within the stack are 3.700 (4) and 3.788 (4) Å. In addition, the crystal structure exhibits inter- and intramolecular C—H⋯O interactions, and an I⋯O halogen bond with an I⋯O distance of 3.282 (2) Å and a nearly linear C—I⋯O angle of 165.69 (8)°. International Union of Crystallography 2008-04-30 /pmc/articles/PMC2961136/ /pubmed/21202411 http://dx.doi.org/10.1107/S1600536808011240 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-Iodo-2,7-dimethyl-3-phenylsulfonyl-1-benzofuran |
title | 5-Iodo-2,7-dimethyl-3-phenylsulfonyl-1-benzofuran |
title_full | 5-Iodo-2,7-dimethyl-3-phenylsulfonyl-1-benzofuran |
title_fullStr | 5-Iodo-2,7-dimethyl-3-phenylsulfonyl-1-benzofuran |
title_full_unstemmed | 5-Iodo-2,7-dimethyl-3-phenylsulfonyl-1-benzofuran |
title_short | 5-Iodo-2,7-dimethyl-3-phenylsulfonyl-1-benzofuran |
title_sort | 5-iodo-2,7-dimethyl-3-phenylsulfonyl-1-benzofuran |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961136/ https://www.ncbi.nlm.nih.gov/pubmed/21202411 http://dx.doi.org/10.1107/S1600536808011240 |
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