<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>64(Pt 10)</volume><submitter>Capuano B</submitter><pubmed_abstract>As part of an anti-psychotic drug discovery program, we report the crystal structure of the title compound, C(24)H(23)ClN(4)O. The mol-ecule has a tricyclic framework with a characteristic buckled V-shaped pyridobenzoxazepine unit, with the central seven-membered heterocycle in a boat configuration. The piperazine ring displays a chair conformation with the 2-phenyl-ethyl substituent assuming an equatorial orientation. There are two crystallographically independent, but virtually identical, mol-ecules in the asymmetric unit.</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>o1865-6</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC2959242</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>8-Chloro-5-(4-phenethylpiperazin-1--yl)pyrido[2,3-b][1,5]benzoxazepine.</pubmed_title><pmcid>PMC2959242</pmcid><pubmed_authors>Lloyd EJ</pubmed_authors><pubmed_authors>Capuano B</pubmed_authors><pubmed_authors>Forsyth CM</pubmed_authors><pubmed_authors>Yuriev E</pubmed_authors><pubmed_authors>Vom A</pubmed_authors><pubmed_authors>Crosby IT</pubmed_authors></additional><is_claimable>false</is_claimable><name>8-Chloro-5-(4-phenethylpiperazin-1--yl)pyrido[2,3-b][1,5]benzoxazepine.</name><description>As part of an anti-psychotic drug discovery program, we report the crystal structure of the title compound, C(24)H(23)ClN(4)O. The mol-ecule has a tricyclic framework with a characteristic buckled V-shaped pyridobenzoxazepine unit, with the central seven-membered heterocycle in a boat configuration. The piperazine ring displays a chair conformation with the 2-phenyl-ethyl substituent assuming an equatorial orientation. There are two crystallographically independent, but virtually identical, mol-ecules in the asymmetric unit.</description><dates><release>2008-01-01T00:00:00Z</release><publication>2008 Sep</publication><modification>2025-04-22T06:45:28.434Z</modification><creation>2019-03-26T23:59:45Z</creation></dates><accession>S-EPMC2959242</accession><cross_references><pubmed>21201082</pubmed><doi>10.1107/S1600536808027062</doi></cross_references></HashMap>