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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...

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Autores principales: Jasinski, Jerry P., Butcher, Ray J., Hakim Al-Arique, Q. N. M., 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/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.
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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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