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5-Bromo-3-(4-fluorophenylsulfonyl)-2,7-dimethyl-1-benzofuran
In the title compound, C(16)H(12)BrFO(3)S, the 4-fluorophenyl ring makes a dihedral angle of 72.35 (5)° with the mean plane [r.m.s. deviation = 0.008 (1) Å] of the benzofuran fragment. In the crystal, molecules are linked into [010] chains via two different inversion-generated pairs of C—H⋯O hydro...
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/PMC3515296/ https://www.ncbi.nlm.nih.gov/pubmed/23284516 http://dx.doi.org/10.1107/S1600536812043607 |
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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(16)H(12)BrFO(3)S, the 4-fluorophenyl ring makes a dihedral angle of 72.35 (5)° with the mean plane [r.m.s. deviation = 0.008 (1) Å] of the benzofuran fragment. In the crystal, molecules are linked into [010] chains via two different inversion-generated pairs of C—H⋯O hydrogen bonds. The crystal structure also exhibits slipped π–π interactions between the benzene rings of neighbouring molecules [centroid–centroid distance = 3.667 (2) Å and slippage = 1.341 (2) Å], and between the benzene and the furan rings of neighbouring molecules [centroid–centroid distance = 3.759 (2) Å and slippage = 0.757 (2) Å]. |
format | Online Article Text |
id | pubmed-3515296 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-35152962013-01-02 5-Bromo-3-(4-fluorophenylsulfonyl)-2,7-dimethyl-1-benzofuran Choi, Hong Dae Seo, Pil Ja Lee, Uk Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(16)H(12)BrFO(3)S, the 4-fluorophenyl ring makes a dihedral angle of 72.35 (5)° with the mean plane [r.m.s. deviation = 0.008 (1) Å] of the benzofuran fragment. In the crystal, molecules are linked into [010] chains via two different inversion-generated pairs of C—H⋯O hydrogen bonds. The crystal structure also exhibits slipped π–π interactions between the benzene rings of neighbouring molecules [centroid–centroid distance = 3.667 (2) Å and slippage = 1.341 (2) Å], and between the benzene and the furan rings of neighbouring molecules [centroid–centroid distance = 3.759 (2) Å and slippage = 0.757 (2) Å]. International Union of Crystallography 2012-10-27 /pmc/articles/PMC3515296/ /pubmed/23284516 http://dx.doi.org/10.1107/S1600536812043607 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 5-Bromo-3-(4-fluorophenylsulfonyl)-2,7-dimethyl-1-benzofuran |
title | 5-Bromo-3-(4-fluorophenylsulfonyl)-2,7-dimethyl-1-benzofuran |
title_full | 5-Bromo-3-(4-fluorophenylsulfonyl)-2,7-dimethyl-1-benzofuran |
title_fullStr | 5-Bromo-3-(4-fluorophenylsulfonyl)-2,7-dimethyl-1-benzofuran |
title_full_unstemmed | 5-Bromo-3-(4-fluorophenylsulfonyl)-2,7-dimethyl-1-benzofuran |
title_short | 5-Bromo-3-(4-fluorophenylsulfonyl)-2,7-dimethyl-1-benzofuran |
title_sort | 5-bromo-3-(4-fluorophenylsulfonyl)-2,7-dimethyl-1-benzofuran |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3515296/ https://www.ncbi.nlm.nih.gov/pubmed/23284516 http://dx.doi.org/10.1107/S1600536812043607 |
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