2-Chloro-N-{5-[(4R,5R,10S)-dehydroabiet-4-yl]-1,3,4-thiadiazol-2-yl}benzamide
There are two independent molecules in the asymmetric unit of the title compound, C28H32ClN3OS (systematic name: 2-chloro-N-{5-[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl]-1,3,4-thiadiazol-2-yl}benzamide). In each molecule, the cyclohexyl ring attached to t...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2011-04-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536811007665 |
| _version_ | 1819104887782244352 |
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| author | Qijin Mo Wengui Duan Xianli Ma Jianxin Huang Zhen Ma |
| author_facet | Qijin Mo Wengui Duan Xianli Ma Jianxin Huang Zhen Ma |
| author_sort | Qijin Mo |
| collection | DOAJ |
| description | There are two independent molecules in the asymmetric unit of the title compound, C28H32ClN3OS (systematic name: 2-chloro-N-{5-[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl]-1,3,4-thiadiazol-2-yl}benzamide). In each molecule, the cyclohexyl ring attached to the thiadiazole fragment adopts a classic chair conformation with two of its two methyl groups in the axial positions. In the crystal, pairs of intermolecular N—H...N hydrogen bonds link the molecules into centrosymmetric dimers, which are further linked via C—H...π interactions. |
| first_indexed | 2024-12-22T02:13:30Z |
| format | Article |
| id | doaj.art-86124b1253a14c1f8bfc6662a356a3f6 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-22T02:13:30Z |
| publishDate | 2011-04-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-86124b1253a14c1f8bfc6662a356a3f62022-12-21T18:42:20ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-04-01674o816o81710.1107/S16005368110076652-Chloro-N-{5-[(4R,5R,10S)-dehydroabiet-4-yl]-1,3,4-thiadiazol-2-yl}benzamideQijin MoWengui DuanXianli MaJianxin HuangZhen MaThere are two independent molecules in the asymmetric unit of the title compound, C28H32ClN3OS (systematic name: 2-chloro-N-{5-[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl]-1,3,4-thiadiazol-2-yl}benzamide). In each molecule, the cyclohexyl ring attached to the thiadiazole fragment adopts a classic chair conformation with two of its two methyl groups in the axial positions. In the crystal, pairs of intermolecular N—H...N hydrogen bonds link the molecules into centrosymmetric dimers, which are further linked via C—H...π interactions.http://scripts.iucr.org/cgi-bin/paper?S1600536811007665 |
| spellingShingle | Qijin Mo Wengui Duan Xianli Ma Jianxin Huang Zhen Ma 2-Chloro-N-{5-[(4R,5R,10S)-dehydroabiet-4-yl]-1,3,4-thiadiazol-2-yl}benzamide Acta Crystallographica Section E |
| title | 2-Chloro-N-{5-[(4R,5R,10S)-dehydroabiet-4-yl]-1,3,4-thiadiazol-2-yl}benzamide |
| title_full | 2-Chloro-N-{5-[(4R,5R,10S)-dehydroabiet-4-yl]-1,3,4-thiadiazol-2-yl}benzamide |
| title_fullStr | 2-Chloro-N-{5-[(4R,5R,10S)-dehydroabiet-4-yl]-1,3,4-thiadiazol-2-yl}benzamide |
| title_full_unstemmed | 2-Chloro-N-{5-[(4R,5R,10S)-dehydroabiet-4-yl]-1,3,4-thiadiazol-2-yl}benzamide |
| title_short | 2-Chloro-N-{5-[(4R,5R,10S)-dehydroabiet-4-yl]-1,3,4-thiadiazol-2-yl}benzamide |
| title_sort | 2 chloro n 5 4r 5r 10s dehydroabiet 4 yl 1 3 4 thiadiazol 2 yl benzamide |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536811007665 |
| work_keys_str_mv | AT qijinmo 2chloron54r5r10sdehydroabiet4yl134thiadiazol2ylbenzamide AT wenguiduan 2chloron54r5r10sdehydroabiet4yl134thiadiazol2ylbenzamide AT xianlima 2chloron54r5r10sdehydroabiet4yl134thiadiazol2ylbenzamide AT jianxinhuang 2chloron54r5r10sdehydroabiet4yl134thiadiazol2ylbenzamide AT zhenma 2chloron54r5r10sdehydroabiet4yl134thiadiazol2ylbenzamide |