Cargando…
2-(4-Bromophenyl)-5-fluoro-3-methylsulfinyl-1-benzofuran
In the title compound, C(15)H(10)BrFO(2)S, the O atom and the methyl group of the methylsulfinyl substituent lie on opposite sides of the plane through the benzofuran fragment. The 4-bromophenyl ring is rotated out of the benzofuran plane [dihedral angle = 38.98 (8)°], while the structure is stabi...
Autores principales: | , , , |
---|---|
Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970042/ https://www.ncbi.nlm.nih.gov/pubmed/21577502 http://dx.doi.org/10.1107/S1600536809030190 |
_version_ | 1782190329511804928 |
---|---|
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 | In the title compound, C(15)H(10)BrFO(2)S, the O atom and the methyl group of the methylsulfinyl substituent lie on opposite sides of the plane through the benzofuran fragment. The 4-bromophenyl ring is rotated out of the benzofuran plane [dihedral angle = 38.98 (8)°], while the structure is stabilized by an intermolecular C—H⋯O hydrogen bond and a Br⋯O halogen bond [3.036 (2) Å] and has an intermolecular C–H⋯π interaction between the 4-bromophenyl H atom and the benzene ring of an adjacent benzofuran molecule, as well as aromatic π–π interactions between the benzene rings of the benzofuran systems [centroid–centroid distance = 3.482 (3) Å]. |
format | Text |
id | pubmed-2970042 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29700422010-12-30 2-(4-Bromophenyl)-5-fluoro-3-methylsulfinyl-1-benzofuran Choi, Hong Dae Seo, Pil Ja Son, Byeng Wha Lee, Uk Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(15)H(10)BrFO(2)S, the O atom and the methyl group of the methylsulfinyl substituent lie on opposite sides of the plane through the benzofuran fragment. The 4-bromophenyl ring is rotated out of the benzofuran plane [dihedral angle = 38.98 (8)°], while the structure is stabilized by an intermolecular C—H⋯O hydrogen bond and a Br⋯O halogen bond [3.036 (2) Å] and has an intermolecular C–H⋯π interaction between the 4-bromophenyl H atom and the benzene ring of an adjacent benzofuran molecule, as well as aromatic π–π interactions between the benzene rings of the benzofuran systems [centroid–centroid distance = 3.482 (3) Å]. International Union of Crystallography 2009-08-08 /pmc/articles/PMC2970042/ /pubmed/21577502 http://dx.doi.org/10.1107/S1600536809030190 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 2-(4-Bromophenyl)-5-fluoro-3-methylsulfinyl-1-benzofuran |
title | 2-(4-Bromophenyl)-5-fluoro-3-methylsulfinyl-1-benzofuran |
title_full | 2-(4-Bromophenyl)-5-fluoro-3-methylsulfinyl-1-benzofuran |
title_fullStr | 2-(4-Bromophenyl)-5-fluoro-3-methylsulfinyl-1-benzofuran |
title_full_unstemmed | 2-(4-Bromophenyl)-5-fluoro-3-methylsulfinyl-1-benzofuran |
title_short | 2-(4-Bromophenyl)-5-fluoro-3-methylsulfinyl-1-benzofuran |
title_sort | 2-(4-bromophenyl)-5-fluoro-3-methylsulfinyl-1-benzofuran |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970042/ https://www.ncbi.nlm.nih.gov/pubmed/21577502 http://dx.doi.org/10.1107/S1600536809030190 |
work_keys_str_mv | AT choihongdae 24bromophenyl5fluoro3methylsulfinyl1benzofuran AT seopilja 24bromophenyl5fluoro3methylsulfinyl1benzofuran AT sonbyengwha 24bromophenyl5fluoro3methylsulfinyl1benzofuran AT leeuk 24bromophenyl5fluoro3methylsulfinyl1benzofuran |