Cargando…
3-(3-Bromophenylsulfinyl)-5-cyclohexyl-2-methyl-1-benzofuran
In the title compound, C(21)H(21)BrO(2)S, the cyclohexyl ring adopts a chair conformation. The dihedral angle between the mean plane [r.m.s. deviation = 0.178 (2) Å] of the benzofuran ring system and the mean plane of the 3-bromophenyl ring is 86.52 (6)°. In the crystal, molecules are linked by...
Autores principales: | , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998404/ https://www.ncbi.nlm.nih.gov/pubmed/24765010 http://dx.doi.org/10.1107/S160053681400316X |
_version_ | 1782313353788522496 |
---|---|
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(21)H(21)BrO(2)S, the cyclohexyl ring adopts a chair conformation. The dihedral angle between the mean plane [r.m.s. deviation = 0.178 (2) Å] of the benzofuran ring system and the mean plane of the 3-bromophenyl ring is 86.52 (6)°. In the crystal, molecules are linked by weak C—H⋯O and C—H⋯π hydrogen bonds, and by a slipped π–π interaction between the furan rings of neighbouring molecules [centroid–centroid distance = 3.518 (3) Å, interplanar distance = 3.471 (3) Å and slippage = 0.573 (3) Å], resulting in a three-dimensional network. |
format | Online Article Text |
id | pubmed-3998404 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-39984042014-04-24 3-(3-Bromophenylsulfinyl)-5-cyclohexyl-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(21)H(21)BrO(2)S, the cyclohexyl ring adopts a chair conformation. The dihedral angle between the mean plane [r.m.s. deviation = 0.178 (2) Å] of the benzofuran ring system and the mean plane of the 3-bromophenyl ring is 86.52 (6)°. In the crystal, molecules are linked by weak C—H⋯O and C—H⋯π hydrogen bonds, and by a slipped π–π interaction between the furan rings of neighbouring molecules [centroid–centroid distance = 3.518 (3) Å, interplanar distance = 3.471 (3) Å and slippage = 0.573 (3) Å], resulting in a three-dimensional network. International Union of Crystallography 2014-02-15 /pmc/articles/PMC3998404/ /pubmed/24765010 http://dx.doi.org/10.1107/S160053681400316X 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 3-(3-Bromophenylsulfinyl)-5-cyclohexyl-2-methyl-1-benzofuran |
title | 3-(3-Bromophenylsulfinyl)-5-cyclohexyl-2-methyl-1-benzofuran |
title_full | 3-(3-Bromophenylsulfinyl)-5-cyclohexyl-2-methyl-1-benzofuran |
title_fullStr | 3-(3-Bromophenylsulfinyl)-5-cyclohexyl-2-methyl-1-benzofuran |
title_full_unstemmed | 3-(3-Bromophenylsulfinyl)-5-cyclohexyl-2-methyl-1-benzofuran |
title_short | 3-(3-Bromophenylsulfinyl)-5-cyclohexyl-2-methyl-1-benzofuran |
title_sort | 3-(3-bromophenylsulfinyl)-5-cyclohexyl-2-methyl-1-benzofuran |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998404/ https://www.ncbi.nlm.nih.gov/pubmed/24765010 http://dx.doi.org/10.1107/S160053681400316X |
work_keys_str_mv | AT choihongdae 33bromophenylsulfinyl5cyclohexyl2methyl1benzofuran AT seopilja 33bromophenylsulfinyl5cyclohexyl2methyl1benzofuran AT leeuk 33bromophenylsulfinyl5cyclohexyl2methyl1benzofuran |