{"database":"biostudies-literature","file_versions":[],"scores":{"citationCount":0,"reanalysisCount":0,"viewCount":46,"searchCount":0},"additional":{"omics_type":["Unknown"],"volume":["67(Pt 4)"],"submitter":["Mo Q"],"pubmed_abstract":["There are two independent mol-ecules in the asymmetric unit of the title compound, C(28)H(32)ClN(3)OS (systematic name: 2-chloro-N-{5-[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octa-hydro-phenanthren-1-yl]-1,3,4-thia-diazol-2-yl}benzamide). In each mol-ecule, the cyclo-hexyl ring attached to the thia-diazole fragment adopts a classic chair conformation with two of its two methyl groups in the axial positions. In the crystal, pairs of inter-molecular N-H?N hydrogen bonds link the mol-ecules into centrosymmetric dimers, which are further linked via C-H?? inter-actions."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o816-7"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3100015"],"repository":["biostudies-literature"],"pubmed_title":["2-Chloro-N-{5-[(4R,5R,10S)-dehydro-abiet-4-yl]-1,3,4-thia-diazol-2-yl}benzamide."],"pmcid":["PMC3100015"],"pubmed_authors":["Huang J","Mo Q","Ma X","Ma Z","Duan W"],"view_count":["46"],"additional_accession":[]},"is_claimable":false,"name":"2-Chloro-N-{5-[(4R,5R,10S)-dehydro-abiet-4-yl]-1,3,4-thia-diazol-2-yl}benzamide.","description":"There are two independent mol-ecules in the asymmetric unit of the title compound, C(28)H(32)ClN(3)OS (systematic name: 2-chloro-N-{5-[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octa-hydro-phenanthren-1-yl]-1,3,4-thia-diazol-2-yl}benzamide). In each mol-ecule, the cyclo-hexyl ring attached to the thia-diazole fragment adopts a classic chair conformation with two of its two methyl groups in the axial positions. In the crystal, pairs of inter-molecular N-H?N hydrogen bonds link the mol-ecules into centrosymmetric dimers, which are further linked via C-H?? inter-actions.","dates":{"release":"2011-01-01T00:00:00Z","publication":"2011 Apr","modification":"2021-02-20T14:14:28Z","creation":"2019-03-26T23:59:22Z"},"accession":"S-EPMC3100015","cross_references":{"pubmed":["21754102"],"doi":["10.1107/S1600536811007665"]}}