8-Chloro-5-(4-phenethylpiperazin-1-­yl)pyrido[2,3-b][1,5]benzoxazepine

As part of an anti­psychotic drug discovery program, we report the crystal structure of the title compound, C(24)H(23)ClN(4)O. The mol­ecule has a tricyclic framework with a characteristic buckled V-shaped pyridobenzoxazepine unit, with the central seven-membered heterocycle in a boat configuration....

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Detalles Bibliográficos
Autores principales: Capuano, Ben, Crosby, Ian T., Forsyth, Craig M., Lloyd, Edward J., Vom, Amelia, Yuriev, Elizabeth
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959242/
https://www.ncbi.nlm.nih.gov/pubmed/21201082
http://dx.doi.org/10.1107/S1600536808027062
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author Capuano, Ben
Crosby, Ian T.
Forsyth, Craig M.
Lloyd, Edward J.
Vom, Amelia
Yuriev, Elizabeth
author_facet Capuano, Ben
Crosby, Ian T.
Forsyth, Craig M.
Lloyd, Edward J.
Vom, Amelia
Yuriev, Elizabeth
author_sort Capuano, Ben
collection PubMed
description As part of an anti­psychotic drug discovery program, we report the crystal structure of the title compound, C(24)H(23)ClN(4)O. The mol­ecule 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, mol­ecules in the asymmetric unit.
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spelling pubmed-29592422010-12-30 8-Chloro-5-(4-phenethylpiperazin-1-­yl)pyrido[2,3-b][1,5]benzoxazepine Capuano, Ben Crosby, Ian T. Forsyth, Craig M. Lloyd, Edward J. Vom, Amelia Yuriev, Elizabeth Acta Crystallogr Sect E Struct Rep Online Organic Papers As part of an anti­psychotic drug discovery program, we report the crystal structure of the title compound, C(24)H(23)ClN(4)O. The mol­ecule 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, mol­ecules in the asymmetric unit. International Union of Crystallography 2008-09-06 /pmc/articles/PMC2959242/ /pubmed/21201082 http://dx.doi.org/10.1107/S1600536808027062 Text en © Capuano et al. 2008 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Capuano, Ben
Crosby, Ian T.
Forsyth, Craig M.
Lloyd, Edward J.
Vom, Amelia
Yuriev, Elizabeth
8-Chloro-5-(4-phenethylpiperazin-1-­yl)pyrido[2,3-b][1,5]benzoxazepine
title 8-Chloro-5-(4-phenethylpiperazin-1-­yl)pyrido[2,3-b][1,5]benzoxazepine
title_full 8-Chloro-5-(4-phenethylpiperazin-1-­yl)pyrido[2,3-b][1,5]benzoxazepine
title_fullStr 8-Chloro-5-(4-phenethylpiperazin-1-­yl)pyrido[2,3-b][1,5]benzoxazepine
title_full_unstemmed 8-Chloro-5-(4-phenethylpiperazin-1-­yl)pyrido[2,3-b][1,5]benzoxazepine
title_short 8-Chloro-5-(4-phenethylpiperazin-1-­yl)pyrido[2,3-b][1,5]benzoxazepine
title_sort 8-chloro-5-(4-phenethylpiperazin-1-­yl)pyrido[2,3-b][1,5]benzoxazepine
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959242/
https://www.ncbi.nlm.nih.gov/pubmed/21201082
http://dx.doi.org/10.1107/S1600536808027062
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