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3-Isopropyl-2-p-tolyloxy-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidin-4(3H)-one
In the title compound, C(20)H(22)N(2)O(2)S, the central thienopyrimidine ring system is essentially planar, with a maximum displacement of 0.023 (2) Å. The attached cyclohexene ring is disordered over two possible conformations, with an occupancy ratio of 0.776 (12):0.224 (12). Neither intermolec...
| Autores principales: | , , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2009
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977812/ https://www.ncbi.nlm.nih.gov/pubmed/21583949 http://dx.doi.org/10.1107/S1600536809014962 |
| _version_ | 1782191194261946368 |
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| author | Zeng, Xiao-Hua Deng, Shou-Heng Qu, Yong-Nian Wang, Hong-Mei |
| author_facet | Zeng, Xiao-Hua Deng, Shou-Heng Qu, Yong-Nian Wang, Hong-Mei |
| author_sort | Zeng, Xiao-Hua |
| collection | PubMed |
| description | In the title compound, C(20)H(22)N(2)O(2)S, the central thienopyrimidine ring system is essentially planar, with a maximum displacement of 0.023 (2) Å. The attached cyclohexene ring is disordered over two possible conformations, with an occupancy ratio of 0.776 (12):0.224 (12). Neither intermolecular hydrogen-bonding interactions nor π–π stacking interactions are present in the crystal structure. The molecular conformation and crystal packing are stabilized by three intramolecular C—H⋯O hydrogen bonds and two C—H⋯π interactions. |
| format | Text |
| id | pubmed-2977812 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2009 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-29778122010-12-30 3-Isopropyl-2-p-tolyloxy-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidin-4(3H)-one Zeng, Xiao-Hua Deng, Shou-Heng Qu, Yong-Nian Wang, Hong-Mei Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(20)H(22)N(2)O(2)S, the central thienopyrimidine ring system is essentially planar, with a maximum displacement of 0.023 (2) Å. The attached cyclohexene ring is disordered over two possible conformations, with an occupancy ratio of 0.776 (12):0.224 (12). Neither intermolecular hydrogen-bonding interactions nor π–π stacking interactions are present in the crystal structure. The molecular conformation and crystal packing are stabilized by three intramolecular C—H⋯O hydrogen bonds and two C—H⋯π interactions. International Union of Crystallography 2009-04-30 /pmc/articles/PMC2977812/ /pubmed/21583949 http://dx.doi.org/10.1107/S1600536809014962 Text en © Zeng 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 Zeng, Xiao-Hua Deng, Shou-Heng Qu, Yong-Nian Wang, Hong-Mei 3-Isopropyl-2-p-tolyloxy-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidin-4(3H)-one |
| title | 3-Isopropyl-2-p-tolyloxy-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidin-4(3H)-one |
| title_full | 3-Isopropyl-2-p-tolyloxy-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidin-4(3H)-one |
| title_fullStr | 3-Isopropyl-2-p-tolyloxy-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidin-4(3H)-one |
| title_full_unstemmed | 3-Isopropyl-2-p-tolyloxy-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidin-4(3H)-one |
| title_short | 3-Isopropyl-2-p-tolyloxy-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidin-4(3H)-one |
| title_sort | 3-isopropyl-2-p-tolyloxy-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidin-4(3h)-one |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977812/ https://www.ncbi.nlm.nih.gov/pubmed/21583949 http://dx.doi.org/10.1107/S1600536809014962 |
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