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Opipramol dipicrate
In the crystal structure of the title compound, C(23)H(31)N(3)O(2+)·2C(6)H(2)N(3)O(7) (−), {systematic name: 1-[3-(5H-dibenz[b,f]azepin-5-yl)propyl]-4-(2-hydroxyethyl)piperazine-1,4-diium bis(2,4,6-trinitrophrenolate)} the piperazine group in the opipramol dication is protonated at both N atom...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007231/ https://www.ncbi.nlm.nih.gov/pubmed/21588296 http://dx.doi.org/10.1107/S1600536810026565 |
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author | Jasinski, Jerry P. Pek, Albert E. Siddaraju, B. P. Yathirajan, H. S. Narayana, B. |
author_facet | Jasinski, Jerry P. Pek, Albert E. Siddaraju, B. P. Yathirajan, H. S. Narayana, B. |
author_sort | Jasinski, Jerry P. |
collection | PubMed |
description | In the crystal structure of the title compound, C(23)H(31)N(3)O(2+)·2C(6)H(2)N(3)O(7) (−), {systematic name: 1-[3-(5H-dibenz[b,f]azepin-5-yl)propyl]-4-(2-hydroxyethyl)piperazine-1,4-diium bis(2,4,6-trinitrophrenolate)} the piperazine group in the opipramol dication is protonated at both N atoms. Each picrate anion interacts with the protonated N atom in the cation through a bifurcated N—H⋯O hydrogen bond, forming an R (2) (1)(6) ring motif. In the cation, the dihedral angle between the mean planes of the two benzene rings is 50.81 (8) Å. Intermolecular O—H⋯O and weak C—H⋯O hydrogen bonds, and weak π-ring and π–π stacking interactions dominate the crystal packing. |
format | Text |
id | pubmed-3007231 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30072312010-12-30 Opipramol dipicrate Jasinski, Jerry P. Pek, Albert E. Siddaraju, B. P. Yathirajan, H. S. Narayana, B. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of the title compound, C(23)H(31)N(3)O(2+)·2C(6)H(2)N(3)O(7) (−), {systematic name: 1-[3-(5H-dibenz[b,f]azepin-5-yl)propyl]-4-(2-hydroxyethyl)piperazine-1,4-diium bis(2,4,6-trinitrophrenolate)} the piperazine group in the opipramol dication is protonated at both N atoms. Each picrate anion interacts with the protonated N atom in the cation through a bifurcated N—H⋯O hydrogen bond, forming an R (2) (1)(6) ring motif. In the cation, the dihedral angle between the mean planes of the two benzene rings is 50.81 (8) Å. Intermolecular O—H⋯O and weak C—H⋯O hydrogen bonds, and weak π-ring and π–π stacking interactions dominate the crystal packing. International Union of Crystallography 2010-07-10 /pmc/articles/PMC3007231/ /pubmed/21588296 http://dx.doi.org/10.1107/S1600536810026565 Text en © Jasinski et al. 2010 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 Jasinski, Jerry P. Pek, Albert E. Siddaraju, B. P. Yathirajan, H. S. Narayana, B. Opipramol dipicrate |
title | Opipramol dipicrate |
title_full | Opipramol dipicrate |
title_fullStr | Opipramol dipicrate |
title_full_unstemmed | Opipramol dipicrate |
title_short | Opipramol dipicrate |
title_sort | opipramol dipicrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007231/ https://www.ncbi.nlm.nih.gov/pubmed/21588296 http://dx.doi.org/10.1107/S1600536810026565 |
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