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3-(4-Bromophenylsulfinyl)-5-fluoro-2-methyl-1-benzofuran
There are two symmetry-independent molecules, A and B, in the asymmetric unit of the title compound, C(15)H(10)BrFO(2)S. The dihedral angle formed by the 4-bromophenyl ring and the mean plane of the benzofuran fragment is 88.26 (6)° in molecule A and 88.25 (6)° in molecule B. In the crystal, mol...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3295518/ https://www.ncbi.nlm.nih.gov/pubmed/22412629 http://dx.doi.org/10.1107/S1600536812005715 |
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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 | There are two symmetry-independent molecules, A and B, in the asymmetric unit of the title compound, C(15)H(10)BrFO(2)S. The dihedral angle formed by the 4-bromophenyl ring and the mean plane of the benzofuran fragment is 88.26 (6)° in molecule A and 88.25 (6)° in molecule B. In the crystal, molecules are linked by weak intermolecular C—H⋯F, C—H⋯O and C—H⋯π interactions. The crystal structure also exhibits intermolecular C—Br⋯π [3.737 (3) Å] interactions, and weak π–π interactions between the benzene and furan rings of neighbouring molecules [centroid–centroid distance = 3.557 (3) Å, interplanar distance = 3.421 (3) Å and slippage = 0.974 (3) Å]. |
format | Online Article Text |
id | pubmed-3295518 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32955182012-03-12 3-(4-Bromophenylsulfinyl)-5-fluoro-2-methyl-1-benzofuran Choi, Hong Dae Seo, Pil Ja Lee, Uk Acta Crystallogr Sect E Struct Rep Online Organic Papers There are two symmetry-independent molecules, A and B, in the asymmetric unit of the title compound, C(15)H(10)BrFO(2)S. The dihedral angle formed by the 4-bromophenyl ring and the mean plane of the benzofuran fragment is 88.26 (6)° in molecule A and 88.25 (6)° in molecule B. In the crystal, molecules are linked by weak intermolecular C—H⋯F, C—H⋯O and C—H⋯π interactions. The crystal structure also exhibits intermolecular C—Br⋯π [3.737 (3) Å] interactions, and weak π–π interactions between the benzene and furan rings of neighbouring molecules [centroid–centroid distance = 3.557 (3) Å, interplanar distance = 3.421 (3) Å and slippage = 0.974 (3) Å]. International Union of Crystallography 2012-02-17 /pmc/articles/PMC3295518/ /pubmed/22412629 http://dx.doi.org/10.1107/S1600536812005715 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-Bromophenylsulfinyl)-5-fluoro-2-methyl-1-benzofuran |
title | 3-(4-Bromophenylsulfinyl)-5-fluoro-2-methyl-1-benzofuran |
title_full | 3-(4-Bromophenylsulfinyl)-5-fluoro-2-methyl-1-benzofuran |
title_fullStr | 3-(4-Bromophenylsulfinyl)-5-fluoro-2-methyl-1-benzofuran |
title_full_unstemmed | 3-(4-Bromophenylsulfinyl)-5-fluoro-2-methyl-1-benzofuran |
title_short | 3-(4-Bromophenylsulfinyl)-5-fluoro-2-methyl-1-benzofuran |
title_sort | 3-(4-bromophenylsulfinyl)-5-fluoro-2-methyl-1-benzofuran |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3295518/ https://www.ncbi.nlm.nih.gov/pubmed/22412629 http://dx.doi.org/10.1107/S1600536812005715 |
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