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Imatinibium dipicrate
In the crystal structure of imatinibium dipicrate [systematic name: 1-methyl-4-(4-{4-methyl-3-[4-(3-pyridyl)pyrimidin-2-ylamino]anilinocarbonyl}benzyl)piperazine-1,4-diium dipicrate], C(29)H(33)N(7)O(2+)·2C(6)H(2)N(3)O(7) (−), the imatinibium cation is protonated at both of the pyrimidine N at...
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/PMC2979873/ https://www.ncbi.nlm.nih.gov/pubmed/21579830 http://dx.doi.org/10.1107/S1600536810000577 |
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author | Jasinski, Jerry P. Butcher, Ray J. Hakim Al-Arique, Q. N. M. Yathirajan, H. S. Narayana, B. |
author_facet | Jasinski, Jerry P. Butcher, Ray J. Hakim Al-Arique, Q. N. M. Yathirajan, H. S. Narayana, B. |
author_sort | Jasinski, Jerry P. |
collection | PubMed |
description | In the crystal structure of imatinibium dipicrate [systematic name: 1-methyl-4-(4-{4-methyl-3-[4-(3-pyridyl)pyrimidin-2-ylamino]anilinocarbonyl}benzyl)piperazine-1,4-diium dipicrate], C(29)H(33)N(7)O(2+)·2C(6)H(2)N(3)O(7) (−), the imatinibium cation is protonated at both of the pyrimidine N atoms. Each of the two picrate anions interacts with the diprotonated cation through bifurcated N—H⋯O hydrogen bonds forming R (1) (2)(6) ring motifs. Also, an R (2) (2)(24) graph set is formed between the benzamidium –NH– group and the 4-pyridyl N atom interacting through N—H⋯N hydrogen-bond interactions. Additional weak C—H⋯Cg π-ring and π–π intermolecular interactions are observed which also influence crystal packing. |
format | Text |
id | pubmed-2979873 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29798732010-12-30 Imatinibium dipicrate Jasinski, Jerry P. Butcher, Ray J. Hakim Al-Arique, Q. N. M. Yathirajan, H. S. Narayana, B. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of imatinibium dipicrate [systematic name: 1-methyl-4-(4-{4-methyl-3-[4-(3-pyridyl)pyrimidin-2-ylamino]anilinocarbonyl}benzyl)piperazine-1,4-diium dipicrate], C(29)H(33)N(7)O(2+)·2C(6)H(2)N(3)O(7) (−), the imatinibium cation is protonated at both of the pyrimidine N atoms. Each of the two picrate anions interacts with the diprotonated cation through bifurcated N—H⋯O hydrogen bonds forming R (1) (2)(6) ring motifs. Also, an R (2) (2)(24) graph set is formed between the benzamidium –NH– group and the 4-pyridyl N atom interacting through N—H⋯N hydrogen-bond interactions. Additional weak C—H⋯Cg π-ring and π–π intermolecular interactions are observed which also influence crystal packing. International Union of Crystallography 2010-01-20 /pmc/articles/PMC2979873/ /pubmed/21579830 http://dx.doi.org/10.1107/S1600536810000577 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. Hakim Al-Arique, Q. N. M. Yathirajan, H. S. Narayana, B. Imatinibium dipicrate |
title | Imatinibium dipicrate |
title_full | Imatinibium dipicrate |
title_fullStr | Imatinibium dipicrate |
title_full_unstemmed | Imatinibium dipicrate |
title_short | Imatinibium dipicrate |
title_sort | imatinibium dipicrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979873/ https://www.ncbi.nlm.nih.gov/pubmed/21579830 http://dx.doi.org/10.1107/S1600536810000577 |
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