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5-Bromo-3-cyclohexylsulfinyl-2,4,6-trimethyl-1-benzofuran
In the title compound, C(17)H(21)BrO(2)S, the cyclohexyl ring adopts a chair conformation and the arylsulfinyl unit is positioned equatorially relative to the cyclohexyl group. The benzofuran unit is essentially planar, with an r.m.s. deviation of 0.016 (2) Å. In the crystal, molecules are link...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2014
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998487/ https://www.ncbi.nlm.nih.gov/pubmed/24765011 http://dx.doi.org/10.1107/S1600536814003171 |
| _version_ | 1782313372757262336 |
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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(17)H(21)BrO(2)S, the cyclohexyl ring adopts a chair conformation and the arylsulfinyl unit is positioned equatorially relative to the cyclohexyl group. The benzofuran unit is essentially planar, with an r.m.s. deviation of 0.016 (2) Å. In the crystal, molecules are linked by weak C—H⋯O, C—H⋯π and Br⋯π [3.663 (2) Å] interactions, resulting in a three-dimensional network. A Br⋯Br [3.6838 (6) Å] contact is observed. The O atom of the sulfinyl group is disordered over two orientations with an occupancy ratio of 0.863 (5):0.137 (5). |
| format | Online Article Text |
| id | pubmed-3998487 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2014 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-39984872014-04-24 5-Bromo-3-cyclohexylsulfinyl-2,4,6-trimethyl-1-benzofuran Choi, Hong Dae Seo, Pil Ja Lee, Uk Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(17)H(21)BrO(2)S, the cyclohexyl ring adopts a chair conformation and the arylsulfinyl unit is positioned equatorially relative to the cyclohexyl group. The benzofuran unit is essentially planar, with an r.m.s. deviation of 0.016 (2) Å. In the crystal, molecules are linked by weak C—H⋯O, C—H⋯π and Br⋯π [3.663 (2) Å] interactions, resulting in a three-dimensional network. A Br⋯Br [3.6838 (6) Å] contact is observed. The O atom of the sulfinyl group is disordered over two orientations with an occupancy ratio of 0.863 (5):0.137 (5). International Union of Crystallography 2014-02-15 /pmc/articles/PMC3998487/ /pubmed/24765011 http://dx.doi.org/10.1107/S1600536814003171 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-Bromo-3-cyclohexylsulfinyl-2,4,6-trimethyl-1-benzofuran |
| title | 5-Bromo-3-cyclohexylsulfinyl-2,4,6-trimethyl-1-benzofuran |
| title_full | 5-Bromo-3-cyclohexylsulfinyl-2,4,6-trimethyl-1-benzofuran |
| title_fullStr | 5-Bromo-3-cyclohexylsulfinyl-2,4,6-trimethyl-1-benzofuran |
| title_full_unstemmed | 5-Bromo-3-cyclohexylsulfinyl-2,4,6-trimethyl-1-benzofuran |
| title_short | 5-Bromo-3-cyclohexylsulfinyl-2,4,6-trimethyl-1-benzofuran |
| title_sort | 5-bromo-3-cyclohexylsulfinyl-2,4,6-trimethyl-1-benzofuran |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998487/ https://www.ncbi.nlm.nih.gov/pubmed/24765011 http://dx.doi.org/10.1107/S1600536814003171 |
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