<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>67(Pt 6)</volume><submitter>Naveen S</submitter><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.</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>o1445-6</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC3120426</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>7-Chloro-5-cyclo-propyl-9-methyl-5H-4,5,6,10-tetra-aza-dibenzo[a,d]cyclo-hepten-11(10H)-one.</pubmed_title><pmcid>PMC3120426</pmcid><pubmed_authors>Sridhar MA</pubmed_authors><pubmed_authors>Manjunath HR</pubmed_authors><pubmed_authors>Thimmegowda NR</pubmed_authors><pubmed_authors>Prasad JS</pubmed_authors><pubmed_authors>Rangappa KS</pubmed_authors><pubmed_authors>Naveen S</pubmed_authors></additional><is_claimable>false</is_claimable><name>7-Chloro-5-cyclo-propyl-9-methyl-5H-4,5,6,10-tetra-aza-dibenzo[a,d]cyclo-hepten-11(10H)-one.</name><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.</description><dates><release>2011-01-01T00:00:00Z</release><publication>2011 Jun</publication><modification>2025-04-25T21:48:18.043Z</modification><creation>2019-03-26T23:59:23Z</creation></dates><accession>S-EPMC3120426</accession><cross_references><pubmed>21754822</pubmed><doi>10.1107/S1600536811018022</doi></cross_references></HashMap>