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5-(4-Bromophenyl)-2-(3,4-methylenedioxyphenyl)-3-methylsulfanyl-1-benzofuran
The title compound, C(22)H(15)BrO(3)S, crystallizes with four molecules in the asymmetric unit. The 4-bromophenyl rings are rotated out of the benzofuran planes, with dihedral angles for the four molecules of 20.8 (2), 17.8 (2), 23.5 (4) and 23.9 (4)°. The dihedral angles between the 3,4-methyle...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970320/ https://www.ncbi.nlm.nih.gov/pubmed/21577975 http://dx.doi.org/10.1107/S1600536809038148 |
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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(22)H(15)BrO(3)S, crystallizes with four molecules in the asymmetric unit. The 4-bromophenyl rings are rotated out of the benzofuran planes, with dihedral angles for the four molecules of 20.8 (2), 17.8 (2), 23.5 (4) and 23.9 (4)°. The dihedral angles between the 3,4-methylenedioxyphenyl ring and the benzofuran plane are 13.5 (2), 7.1 (2), 18.6 (3) and 14.2 (3)° in the four molecules. The crystal structure is stabilized by weak nonclassical intermolecular C—H⋯O hydrogen bonds. The crystal structure also exhibits intermolecular aromatic π–π interactions between the benzene and furan rings and between the 4-bromophenyl and 3,4-methylenedioxyphenyl rings from molecules of the same type; the centroid–centroid distances are 3.92 (1) and 3.79 (1), 3.91 (1), 3.77 (1) and 3.77 (1), and 3.79 (1) and 3.75 (1)Å in the four molecules. |
format | Text |
id | pubmed-2970320 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29703202010-12-30 5-(4-Bromophenyl)-2-(3,4-methylenedioxyphenyl)-3-methylsulfanyl-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(22)H(15)BrO(3)S, crystallizes with four molecules in the asymmetric unit. The 4-bromophenyl rings are rotated out of the benzofuran planes, with dihedral angles for the four molecules of 20.8 (2), 17.8 (2), 23.5 (4) and 23.9 (4)°. The dihedral angles between the 3,4-methylenedioxyphenyl ring and the benzofuran plane are 13.5 (2), 7.1 (2), 18.6 (3) and 14.2 (3)° in the four molecules. The crystal structure is stabilized by weak nonclassical intermolecular C—H⋯O hydrogen bonds. The crystal structure also exhibits intermolecular aromatic π–π interactions between the benzene and furan rings and between the 4-bromophenyl and 3,4-methylenedioxyphenyl rings from molecules of the same type; the centroid–centroid distances are 3.92 (1) and 3.79 (1), 3.91 (1), 3.77 (1) and 3.77 (1), and 3.79 (1) and 3.75 (1)Å in the four molecules. International Union of Crystallography 2009-09-26 /pmc/articles/PMC2970320/ /pubmed/21577975 http://dx.doi.org/10.1107/S1600536809038148 Text en © Choi et al. 2009 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-(4-Bromophenyl)-2-(3,4-methylenedioxyphenyl)-3-methylsulfanyl-1-benzofuran |
title | 5-(4-Bromophenyl)-2-(3,4-methylenedioxyphenyl)-3-methylsulfanyl-1-benzofuran |
title_full | 5-(4-Bromophenyl)-2-(3,4-methylenedioxyphenyl)-3-methylsulfanyl-1-benzofuran |
title_fullStr | 5-(4-Bromophenyl)-2-(3,4-methylenedioxyphenyl)-3-methylsulfanyl-1-benzofuran |
title_full_unstemmed | 5-(4-Bromophenyl)-2-(3,4-methylenedioxyphenyl)-3-methylsulfanyl-1-benzofuran |
title_short | 5-(4-Bromophenyl)-2-(3,4-methylenedioxyphenyl)-3-methylsulfanyl-1-benzofuran |
title_sort | 5-(4-bromophenyl)-2-(3,4-methylenedioxyphenyl)-3-methylsulfanyl-1-benzofuran |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970320/ https://www.ncbi.nlm.nih.gov/pubmed/21577975 http://dx.doi.org/10.1107/S1600536809038148 |
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