Opipramol dihydro­chloride

The title compound (systematic name: 4-{3-[2-aza­tricyclo­[9.4.0.0(3,8)]penta­deca-1(15),3,5,7,11,13-hexaen-2-yl]prop­yl}-1-(2-hy­droxy­eth­yl)piperazine-1,4-diium dichloride), C(23)H(31)N(3)O(+)·2Cl(−), is the dihydro­chloride of a piperazine derivative bearing a bulky 3-(5H-dibenz[b,f]azepin-5-yl)...

Descripción completa

Detalles Bibliográficos
Autores principales: Betz, Richard, Gerber, Thomas, Hosten, Eric, Siddaraju, Budanoor P., Yathirajan, Hemmige S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247396/
https://www.ncbi.nlm.nih.gov/pubmed/22220014
http://dx.doi.org/10.1107/S1600536811042280
_version_ 1782220097553694720
author Betz, Richard
Gerber, Thomas
Hosten, Eric
Siddaraju, Budanoor P.
Yathirajan, Hemmige S.
author_facet Betz, Richard
Gerber, Thomas
Hosten, Eric
Siddaraju, Budanoor P.
Yathirajan, Hemmige S.
author_sort Betz, Richard
collection PubMed
description The title compound (systematic name: 4-{3-[2-aza­tricyclo­[9.4.0.0(3,8)]penta­deca-1(15),3,5,7,11,13-hexaen-2-yl]prop­yl}-1-(2-hy­droxy­eth­yl)piperazine-1,4-diium dichloride), C(23)H(31)N(3)O(+)·2Cl(−), is the dihydro­chloride of a piperazine derivative bearing a bulky 3-(5H-dibenz[b,f]azepin-5-yl)propyl substituent. Protonation took place on both N atoms of the piperazine unit. The diaza­cyclo­hexane ring adopts a chair conformation. N—H⋯Cl, O—H⋯Cl and C—H⋯Cl hydrogen bonding as well as C—H⋯O contacts connect the components into a three-dimensional network in the crystal. Two C—H⋯π contacts are also observed.
format Online
Article
Text
id pubmed-3247396
institution National Center for Biotechnology Information
language English
publishDate 2011
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-32473962012-01-04 Opipramol dihydro­chloride Betz, Richard Gerber, Thomas Hosten, Eric Siddaraju, Budanoor P. Yathirajan, Hemmige S. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound (systematic name: 4-{3-[2-aza­tricyclo­[9.4.0.0(3,8)]penta­deca-1(15),3,5,7,11,13-hexaen-2-yl]prop­yl}-1-(2-hy­droxy­eth­yl)piperazine-1,4-diium dichloride), C(23)H(31)N(3)O(+)·2Cl(−), is the dihydro­chloride of a piperazine derivative bearing a bulky 3-(5H-dibenz[b,f]azepin-5-yl)propyl substituent. Protonation took place on both N atoms of the piperazine unit. The diaza­cyclo­hexane ring adopts a chair conformation. N—H⋯Cl, O—H⋯Cl and C—H⋯Cl hydrogen bonding as well as C—H⋯O contacts connect the components into a three-dimensional network in the crystal. Two C—H⋯π contacts are also observed. International Union of Crystallography 2011-10-22 /pmc/articles/PMC3247396/ /pubmed/22220014 http://dx.doi.org/10.1107/S1600536811042280 Text en © Betz et al. 2011 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
Betz, Richard
Gerber, Thomas
Hosten, Eric
Siddaraju, Budanoor P.
Yathirajan, Hemmige S.
Opipramol dihydro­chloride
title Opipramol dihydro­chloride
title_full Opipramol dihydro­chloride
title_fullStr Opipramol dihydro­chloride
title_full_unstemmed Opipramol dihydro­chloride
title_short Opipramol dihydro­chloride
title_sort opipramol dihydro­chloride
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247396/
https://www.ncbi.nlm.nih.gov/pubmed/22220014
http://dx.doi.org/10.1107/S1600536811042280
work_keys_str_mv AT betzrichard opipramoldihydrochloride
AT gerberthomas opipramoldihydrochloride
AT hosteneric opipramoldihydrochloride
AT siddarajubudanoorp opipramoldihydrochloride
AT yathirajanhemmiges opipramoldihydrochloride

Ejemplares similares