5-Bromo-3-(3-fluoro­phenyl­sulfin­yl)-2-methyl-1-benzofuran

In the title compound, C(15)H(10)BrFO(2)S, the 3-fluoro­phenyl ring makes a dihedral angle of 85.0 (1)° with the mean plane [r.m.s. deviation = 0.008 (2) Å] of the benzofuran fragment. In the crystal, mol­ecules are linked by weak C—H⋯O hydrogen bonds and a Br⋯O contact [3.200 (3) Å]. The crystal st...

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Detalles Bibliográficos
Autores principales: Choi, Hong Dae, Seo, Pil Ja, Lee, Uk
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414946/
https://www.ncbi.nlm.nih.gov/pubmed/22904933
http://dx.doi.org/10.1107/S1600536812032394
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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(15)H(10)BrFO(2)S, the 3-fluoro­phenyl ring makes a dihedral angle of 85.0 (1)° with the mean plane [r.m.s. deviation = 0.008 (2) Å] of the benzofuran fragment. In the crystal, mol­ecules are linked by weak C—H⋯O hydrogen bonds and a Br⋯O contact [3.200 (3) Å]. The crystal structure also exhibits slipped π–π inter­actions between the benzene and furan rings of neighbouring mol­ecules [centroid–centroid distance = 3.619 (4) Å and slippage of 1.389 (4) Å]. In the 3-fluoro­phenyl ring, the F atom is disordered over two positions with site-occupancy factors of 0.583 (5) and 0.417 (5).
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spelling pubmed-34149462012-08-17 5-Bromo-3-(3-fluoro­phenyl­sulfin­yl)-2-methyl-1-benzofuran Choi, Hong Dae Seo, Pil Ja Lee, Uk Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(15)H(10)BrFO(2)S, the 3-fluoro­phenyl ring makes a dihedral angle of 85.0 (1)° with the mean plane [r.m.s. deviation = 0.008 (2) Å] of the benzofuran fragment. In the crystal, mol­ecules are linked by weak C—H⋯O hydrogen bonds and a Br⋯O contact [3.200 (3) Å]. The crystal structure also exhibits slipped π–π inter­actions between the benzene and furan rings of neighbouring mol­ecules [centroid–centroid distance = 3.619 (4) Å and slippage of 1.389 (4) Å]. In the 3-fluoro­phenyl ring, the F atom is disordered over two positions with site-occupancy factors of 0.583 (5) and 0.417 (5). International Union of Crystallography 2012-07-18 /pmc/articles/PMC3414946/ /pubmed/22904933 http://dx.doi.org/10.1107/S1600536812032394 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-(3-fluoro­phenyl­sulfin­yl)-2-methyl-1-benzofuran
title 5-Bromo-3-(3-fluoro­phenyl­sulfin­yl)-2-methyl-1-benzofuran
title_full 5-Bromo-3-(3-fluoro­phenyl­sulfin­yl)-2-methyl-1-benzofuran
title_fullStr 5-Bromo-3-(3-fluoro­phenyl­sulfin­yl)-2-methyl-1-benzofuran
title_full_unstemmed 5-Bromo-3-(3-fluoro­phenyl­sulfin­yl)-2-methyl-1-benzofuran
title_short 5-Bromo-3-(3-fluoro­phenyl­sulfin­yl)-2-methyl-1-benzofuran
title_sort 5-bromo-3-(3-fluoro­phenyl­sulfin­yl)-2-methyl-1-benzofuran
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414946/
https://www.ncbi.nlm.nih.gov/pubmed/22904933
http://dx.doi.org/10.1107/S1600536812032394
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AT seopilja 5bromo33fluorophenylsulfinyl2methyl1benzofuran
AT leeuk 5bromo33fluorophenylsulfinyl2methyl1benzofuran

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