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5-Cyclohexyl-2-(4-fluorophenyl)-3-phenylsulfinyl-1-benzofuran
The asymmetric unit of the title compound, C(26)H(23)FO(2)S, contains two independent molecules (A and B), in both of which the cyclohexyl ring adopts a chair conformation. The benzofuran ring systems, the 4-fluorophenyl and phenyl rings are essentially planar, with r.m.s. deviations of 0.008 (1...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884427/ https://www.ncbi.nlm.nih.gov/pubmed/24427078 http://dx.doi.org/10.1107/S1600536813022678 |
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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 | The asymmetric unit of the title compound, C(26)H(23)FO(2)S, contains two independent molecules (A and B), in both of which the cyclohexyl ring adopts a chair conformation. The benzofuran ring systems, the 4-fluorophenyl and phenyl rings are essentially planar, with r.m.s. deviations of 0.008 (1), 0.002 (1) and 0.003 (1) Å, respectively, for molecule A, and 0.016 (1), 0.004 (1) and 0.002 (1) Å, respectively, for molecule B. The dihedral angles between the benzofuran ring system and the pendant 4-fluorophenyl and phenyl rings are 12.3 (7) and 85.42 (4)°, respectively, for molecule A, and 39.67 (6) and 72.17 (4)°, respectively, for molecule B. In the crystal, molecules are linked by weak C—H⋯O and C—H⋯π interactions, resulting in a three-dimensional network. |
format | Online Article Text |
id | pubmed-3884427 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-38844272014-01-14 5-Cyclohexyl-2-(4-fluorophenyl)-3-phenylsulfinyl-1-benzofuran Choi, Hong Dae Seo, Pil Ja Lee, Uk Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(26)H(23)FO(2)S, contains two independent molecules (A and B), in both of which the cyclohexyl ring adopts a chair conformation. The benzofuran ring systems, the 4-fluorophenyl and phenyl rings are essentially planar, with r.m.s. deviations of 0.008 (1), 0.002 (1) and 0.003 (1) Å, respectively, for molecule A, and 0.016 (1), 0.004 (1) and 0.002 (1) Å, respectively, for molecule B. The dihedral angles between the benzofuran ring system and the pendant 4-fluorophenyl and phenyl rings are 12.3 (7) and 85.42 (4)°, respectively, for molecule A, and 39.67 (6) and 72.17 (4)°, respectively, for molecule B. In the crystal, molecules are linked by weak C—H⋯O and C—H⋯π interactions, resulting in a three-dimensional network. International Union of Crystallography 2013-08-21 /pmc/articles/PMC3884427/ /pubmed/24427078 http://dx.doi.org/10.1107/S1600536813022678 Text en © Choi et al. 2013 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-Cyclohexyl-2-(4-fluorophenyl)-3-phenylsulfinyl-1-benzofuran |
title | 5-Cyclohexyl-2-(4-fluorophenyl)-3-phenylsulfinyl-1-benzofuran |
title_full | 5-Cyclohexyl-2-(4-fluorophenyl)-3-phenylsulfinyl-1-benzofuran |
title_fullStr | 5-Cyclohexyl-2-(4-fluorophenyl)-3-phenylsulfinyl-1-benzofuran |
title_full_unstemmed | 5-Cyclohexyl-2-(4-fluorophenyl)-3-phenylsulfinyl-1-benzofuran |
title_short | 5-Cyclohexyl-2-(4-fluorophenyl)-3-phenylsulfinyl-1-benzofuran |
title_sort | 5-cyclohexyl-2-(4-fluorophenyl)-3-phenylsulfinyl-1-benzofuran |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884427/ https://www.ncbi.nlm.nih.gov/pubmed/24427078 http://dx.doi.org/10.1107/S1600536813022678 |
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