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4-(4-Hydroxyphenyl)-2,2,4-trimethyl-7,8-benzothiachroman, a fused-ring counterpart of thia-Dianin’s compound
The title compound, C(22)H(22)OS [systematic name: 4-(1,3,3-trimethyl-2,3-dihydro-1H-4-thiaphenanthren-1-yl)phenol], crystallizes unsolvated from nitromethane as colourless prisms (m.p. 425–427 K) in the polar monoclinic space group Ia with Z′ = 2 (molecules A and B). Both independent molecules...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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International Union of Crystallography
2017
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5683485/ https://www.ncbi.nlm.nih.gov/pubmed/29152345 http://dx.doi.org/10.1107/S2056989017014608 |
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| author | Frampton, Christopher S. McKendrick, Joseph J. MacNicol, David D. |
| author_facet | Frampton, Christopher S. McKendrick, Joseph J. MacNicol, David D. |
| author_sort | Frampton, Christopher S. |
| collection | PubMed |
| description | The title compound, C(22)H(22)OS [systematic name: 4-(1,3,3-trimethyl-2,3-dihydro-1H-4-thiaphenanthren-1-yl)phenol], crystallizes unsolvated from nitromethane as colourless prisms (m.p. 425–427 K) in the polar monoclinic space group Ia with Z′ = 2 (molecules A and B). Both independent molecules possess a very similar proximal conformation, this referring to the juxtaposition of the 4-hydroxyphenyl substituent with respect to the syn-related methyl group. In the crystal, molecule A is linked to molecule B by an O—H⋯O hydrogen bond. In turn, molecule B exhibits a weak O—H⋯π interaction with the phenolic group of molecule A related by a-glide symmetry. Together, these lead to [100] chains. |
| format | Online Article Text |
| id | pubmed-5683485 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2017 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-56834852017-11-17 4-(4-Hydroxyphenyl)-2,2,4-trimethyl-7,8-benzothiachroman, a fused-ring counterpart of thia-Dianin’s compound Frampton, Christopher S. McKendrick, Joseph J. MacNicol, David D. Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(22)H(22)OS [systematic name: 4-(1,3,3-trimethyl-2,3-dihydro-1H-4-thiaphenanthren-1-yl)phenol], crystallizes unsolvated from nitromethane as colourless prisms (m.p. 425–427 K) in the polar monoclinic space group Ia with Z′ = 2 (molecules A and B). Both independent molecules possess a very similar proximal conformation, this referring to the juxtaposition of the 4-hydroxyphenyl substituent with respect to the syn-related methyl group. In the crystal, molecule A is linked to molecule B by an O—H⋯O hydrogen bond. In turn, molecule B exhibits a weak O—H⋯π interaction with the phenolic group of molecule A related by a-glide symmetry. Together, these lead to [100] chains. International Union of Crystallography 2017-10-20 /pmc/articles/PMC5683485/ /pubmed/29152345 http://dx.doi.org/10.1107/S2056989017014608 Text en © Frampton et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
| spellingShingle | Research Communications Frampton, Christopher S. McKendrick, Joseph J. MacNicol, David D. 4-(4-Hydroxyphenyl)-2,2,4-trimethyl-7,8-benzothiachroman, a fused-ring counterpart of thia-Dianin’s compound |
| title | 4-(4-Hydroxyphenyl)-2,2,4-trimethyl-7,8-benzothiachroman, a fused-ring counterpart of thia-Dianin’s compound |
| title_full | 4-(4-Hydroxyphenyl)-2,2,4-trimethyl-7,8-benzothiachroman, a fused-ring counterpart of thia-Dianin’s compound |
| title_fullStr | 4-(4-Hydroxyphenyl)-2,2,4-trimethyl-7,8-benzothiachroman, a fused-ring counterpart of thia-Dianin’s compound |
| title_full_unstemmed | 4-(4-Hydroxyphenyl)-2,2,4-trimethyl-7,8-benzothiachroman, a fused-ring counterpart of thia-Dianin’s compound |
| title_short | 4-(4-Hydroxyphenyl)-2,2,4-trimethyl-7,8-benzothiachroman, a fused-ring counterpart of thia-Dianin’s compound |
| title_sort | 4-(4-hydroxyphenyl)-2,2,4-trimethyl-7,8-benzothiachroman, a fused-ring counterpart of thia-dianin’s compound |
| topic | Research Communications |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5683485/ https://www.ncbi.nlm.nih.gov/pubmed/29152345 http://dx.doi.org/10.1107/S2056989017014608 |
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