5-Fluoro-2-methyl-3-(3-methyl­phenyl­sulfon­yl)-1-benzo­furan

In the title compound, C(16)H(13)FO(3)S, the dihedral angle between the mean planes of the benzo­furan ring system and the 3-methyl­phenyl ring is 80.96 (4)°. In the crystal, mol­ecules are linked via pairs of π–π inter­actions between furan and benzene rings, with centroid–centroid distances of 3.7...

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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 2014
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998627/
https://www.ncbi.nlm.nih.gov/pubmed/24826176
http://dx.doi.org/10.1107/S1600536814006321
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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(13)FO(3)S, the dihedral angle between the mean planes of the benzo­furan ring system and the 3-methyl­phenyl ring is 80.96 (4)°. In the crystal, mol­ecules are linked via pairs of π–π inter­actions between furan and benzene rings, with centroid–centroid distances of 3.758 (1) and 3.771 (1) Å. A similar inter­action is found between furan rings, with a centroid–centroid distance of 3.661 (1) Å between neighbouring mol­ecules. The mol­ecules stack along the a-axis direction. In addition, C—H⋯O and C—H⋯π hydrogen bonds are observed between inversion-related dimers.
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spelling pubmed-39986272014-05-13 5-Fluoro-2-methyl-3-(3-methyl­phenyl­sulfon­yl)-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(13)FO(3)S, the dihedral angle between the mean planes of the benzo­furan ring system and the 3-methyl­phenyl ring is 80.96 (4)°. In the crystal, mol­ecules are linked via pairs of π–π inter­actions between furan and benzene rings, with centroid–centroid distances of 3.758 (1) and 3.771 (1) Å. A similar inter­action is found between furan rings, with a centroid–centroid distance of 3.661 (1) Å between neighbouring mol­ecules. The mol­ecules stack along the a-axis direction. In addition, C—H⋯O and C—H⋯π hydrogen bonds are observed between inversion-related dimers. International Union of Crystallography 2014-03-26 /pmc/articles/PMC3998627/ /pubmed/24826176 http://dx.doi.org/10.1107/S1600536814006321 Text en © Choi et al. 2014 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-Fluoro-2-methyl-3-(3-methyl­phenyl­sulfon­yl)-1-benzo­furan
title 5-Fluoro-2-methyl-3-(3-methyl­phenyl­sulfon­yl)-1-benzo­furan
title_full 5-Fluoro-2-methyl-3-(3-methyl­phenyl­sulfon­yl)-1-benzo­furan
title_fullStr 5-Fluoro-2-methyl-3-(3-methyl­phenyl­sulfon­yl)-1-benzo­furan
title_full_unstemmed 5-Fluoro-2-methyl-3-(3-methyl­phenyl­sulfon­yl)-1-benzo­furan
title_short 5-Fluoro-2-methyl-3-(3-methyl­phenyl­sulfon­yl)-1-benzo­furan
title_sort 5-fluoro-2-methyl-3-(3-methyl­phenyl­sulfon­yl)-1-benzo­furan
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998627/
https://www.ncbi.nlm.nih.gov/pubmed/24826176
http://dx.doi.org/10.1107/S1600536814006321
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AT seopilja 5fluoro2methyl33methylphenylsulfonyl1benzofuran
AT leeuk 5fluoro2methyl33methylphenylsulfonyl1benzofuran

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