{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["67(Pt 6)"],"submitter":["Naveen S"],"pubmed_abstract":["In the title compound, C(15)H(13)ClN(4)O, which is a chloro derivative of the drug Nevirapine, the diazepine ring is in a twisted boat conformation. The pyridine rings fused to the diazepine fragment form a dihedral angle of 58.44 (10)° and the mol-ecule adopts a butterfly shape. The mol-ecules are joined via N-H⋯N hydrogen bonding into polymeric chains down the b axis. All weaker C-H⋯O inter-actions involve the carbonyl O atom as acceptor."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o1445-6"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3120426"],"repository":["biostudies-literature"],"pubmed_title":["7-Chloro-5-cyclo-propyl-9-methyl-5H-4,5,6,10-tetra-aza-dibenzo[a,d]cyclo-hepten-11(10H)-one."],"pmcid":["PMC3120426"],"pubmed_authors":["Sridhar MA","Manjunath HR","Thimmegowda NR","Prasad JS","Rangappa KS","Naveen S"],"additional_accession":[]},"is_claimable":false,"name":"7-Chloro-5-cyclo-propyl-9-methyl-5H-4,5,6,10-tetra-aza-dibenzo[a,d]cyclo-hepten-11(10H)-one.","description":"In the title compound, C(15)H(13)ClN(4)O, which is a chloro derivative of the drug Nevirapine, the diazepine ring is in a twisted boat conformation. The pyridine rings fused to the diazepine fragment form a dihedral angle of 58.44 (10)° and the mol-ecule adopts a butterfly shape. The mol-ecules are joined via N-H⋯N hydrogen bonding into polymeric chains down the b axis. All weaker C-H⋯O inter-actions involve the carbonyl O atom as acceptor.","dates":{"release":"2011-01-01T00:00:00Z","publication":"2011 Jun","modification":"2025-04-25T21:48:18.043Z","creation":"2019-03-26T23:59:23Z"},"accession":"S-EPMC3120426","cross_references":{"pubmed":["21754822"],"doi":["10.1107/S1600536811018022"]}}