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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...

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Autores principales: Jasinski, Jerry P., Pek, Albert E., Siddaraju, B. P., Yathirajan, H. S., Narayana, B.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
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.
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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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