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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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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 |
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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 |
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