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Levocetirizinium dipicrate

There are two cation–dianion pairs in the asymmetric unit of the title compound, C(21)H(27)ClN(2)O(3) (2+)·2C(6)H(2)N(3)O(7) (−) {systematic name: 1-[2-(carb­oxy­meth­oxy)eth­yl]-4-[(R)-(4-chloro­phen­yl)phenyl­meth­yl]piperazine-1,4-diium bis­(2,4,6-trinitro­phenol­ate)}. The piperazine group in th...

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Autores principales: Jasinski, Jerry P., Butcher, Ray J., Siddegowda, M. S., Yathirajan, H. S., Ramesha, A. R.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011381/
https://www.ncbi.nlm.nih.gov/pubmed/21589463
http://dx.doi.org/10.1107/S1600536810045733
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author Jasinski, Jerry P.
Butcher, Ray J.
Siddegowda, M. S.
Yathirajan, H. S.
Ramesha, A. R.
author_facet Jasinski, Jerry P.
Butcher, Ray J.
Siddegowda, M. S.
Yathirajan, H. S.
Ramesha, A. R.
author_sort Jasinski, Jerry P.
collection PubMed
description There are two cation–dianion pairs in the asymmetric unit of the title compound, C(21)H(27)ClN(2)O(3) (2+)·2C(6)H(2)N(3)O(7) (−) {systematic name: 1-[2-(carb­oxy­meth­oxy)eth­yl]-4-[(R)-(4-chloro­phen­yl)phenyl­meth­yl]piperazine-1,4-diium bis­(2,4,6-trinitro­phenol­ate)}. The piperazine group in the levocetirizinium cation is protonated at both N atoms. The acetyl end groups form R (2) (2)(8) hydrogen-bonded motifs with adjacent cations. Each picrate anion inter­acts with the proponated N atom in the cation through a bifurcated N—H⋯O hydrogen bond, forming R (1) (2)(6) ring motifs. Strong and weak inter­molecular N—H⋯O and strong O—H⋯O hydrogen bonds, and weak π–ring and π–π stacking inter­actions [centroid–centroid distance = 3.7419 (14) Å] dominate the crystal packing, creating a three-dimensional supra­molecular structure.
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spelling pubmed-30113812010-12-30 Levocetirizinium dipicrate Jasinski, Jerry P. Butcher, Ray J. Siddegowda, M. S. Yathirajan, H. S. Ramesha, A. R. Acta Crystallogr Sect E Struct Rep Online Organic Papers There are two cation–dianion pairs in the asymmetric unit of the title compound, C(21)H(27)ClN(2)O(3) (2+)·2C(6)H(2)N(3)O(7) (−) {systematic name: 1-[2-(carb­oxy­meth­oxy)eth­yl]-4-[(R)-(4-chloro­phen­yl)phenyl­meth­yl]piperazine-1,4-diium bis­(2,4,6-trinitro­phenol­ate)}. The piperazine group in the levocetirizinium cation is protonated at both N atoms. The acetyl end groups form R (2) (2)(8) hydrogen-bonded motifs with adjacent cations. Each picrate anion inter­acts with the proponated N atom in the cation through a bifurcated N—H⋯O hydrogen bond, forming R (1) (2)(6) ring motifs. Strong and weak inter­molecular N—H⋯O and strong O—H⋯O hydrogen bonds, and weak π–ring and π–π stacking inter­actions [centroid–centroid distance = 3.7419 (14) Å] dominate the crystal packing, creating a three-dimensional supra­molecular structure. International Union of Crystallography 2010-11-13 /pmc/articles/PMC3011381/ /pubmed/21589463 http://dx.doi.org/10.1107/S1600536810045733 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.
Butcher, Ray J.
Siddegowda, M. S.
Yathirajan, H. S.
Ramesha, A. R.
Levocetirizinium dipicrate
title Levocetirizinium dipicrate
title_full Levocetirizinium dipicrate
title_fullStr Levocetirizinium dipicrate
title_full_unstemmed Levocetirizinium dipicrate
title_short Levocetirizinium dipicrate
title_sort levocetirizinium dipicrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011381/
https://www.ncbi.nlm.nih.gov/pubmed/21589463
http://dx.doi.org/10.1107/S1600536810045733
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