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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...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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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. |
format | Text |
id | pubmed-3011381 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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