Cargando…

Opipramolium fumarate

In the crystal structure of the title salt {systematic name: 4-[3-(5H-dibenz[b,f]azepin-5-yl)prop­yl]-1-(2-hy­droxy­eth­yl)piperazin-1-ium (2Z)-3-carb­oxy­prop-2-enoate}, C(23)H(30)N(3)O(+)·C(4)H(3)O(4) (−), the piperazine group in the opipramol cation is protonated at only one of the N atoms. In th...

Descripción completa

Detalles Bibliográficos
Autores principales: Siddegowda, M. S., Jasinski, Jerry P., Golen, James A., Yathirajan, H. S., Swamy, M. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200775/
https://www.ncbi.nlm.nih.gov/pubmed/22064675
http://dx.doi.org/10.1107/S160053681103159X
_version_ 1782214746782564352
author Siddegowda, M. S.
Jasinski, Jerry P.
Golen, James A.
Yathirajan, H. S.
Swamy, M. T.
author_facet Siddegowda, M. S.
Jasinski, Jerry P.
Golen, James A.
Yathirajan, H. S.
Swamy, M. T.
author_sort Siddegowda, M. S.
collection PubMed
description In the crystal structure of the title salt {systematic name: 4-[3-(5H-dibenz[b,f]azepin-5-yl)prop­yl]-1-(2-hy­droxy­eth­yl)piperazin-1-ium (2Z)-3-carb­oxy­prop-2-enoate}, C(23)H(30)N(3)O(+)·C(4)H(3)O(4) (−), the piperazine group in the opipramol cation is protonated at only one of the N atoms. In the cation, the dihedral angle between the two benzene rings is 53.5 (6)°. An extensive array of inter­molecular O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds and weak inter­molecular N—H⋯O, C—H⋯O and C—H⋯π inter­actions dominate the crystal packing.
format Online
Article
Text
id pubmed-3200775
institution National Center for Biotechnology Information
language English
publishDate 2011
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-32007752011-11-06 Opipramolium fumarate Siddegowda, M. S. Jasinski, Jerry P. Golen, James A. Yathirajan, H. S. Swamy, M. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of the title salt {systematic name: 4-[3-(5H-dibenz[b,f]azepin-5-yl)prop­yl]-1-(2-hy­droxy­eth­yl)piperazin-1-ium (2Z)-3-carb­oxy­prop-2-enoate}, C(23)H(30)N(3)O(+)·C(4)H(3)O(4) (−), the piperazine group in the opipramol cation is protonated at only one of the N atoms. In the cation, the dihedral angle between the two benzene rings is 53.5 (6)°. An extensive array of inter­molecular O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds and weak inter­molecular N—H⋯O, C—H⋯O and C—H⋯π inter­actions dominate the crystal packing. International Union of Crystallography 2011-08-11 /pmc/articles/PMC3200775/ /pubmed/22064675 http://dx.doi.org/10.1107/S160053681103159X Text en © Siddegowda 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
Siddegowda, M. S.
Jasinski, Jerry P.
Golen, James A.
Yathirajan, H. S.
Swamy, M. T.
Opipramolium fumarate
title Opipramolium fumarate
title_full Opipramolium fumarate
title_fullStr Opipramolium fumarate
title_full_unstemmed Opipramolium fumarate
title_short Opipramolium fumarate
title_sort opipramolium fumarate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200775/
https://www.ncbi.nlm.nih.gov/pubmed/22064675
http://dx.doi.org/10.1107/S160053681103159X
work_keys_str_mv AT siddegowdams opipramoliumfumarate
AT jasinskijerryp opipramoliumfumarate
AT golenjamesa opipramoliumfumarate
AT yathirajanhs opipramoliumfumarate
AT swamymt opipramoliumfumarate