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Imatinibium dipicrate.

ABSTRACT: IN THE CRYSTAL STRUCTURE OF IMATINIBIUM DIPICRATE [SYSTEMATIC NAME: 1-methyl-4-(4-{4-methyl-3-[4-(3-pyrid-yl)pyrimidin-2-yl-amino]-anilinocarbon-yl}benz-yl)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 proton-ated at both of the pyrimidine N atoms. Each of the two picrate anions inter-acts 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 inter-acting through N-H?N hydrogen-bond inter-actions. Additional weak C-H?Cg ?-ring and ?-? inter-molecular inter-actions are observed which also influence crystal packing.

SUBMITTER: Jasinski JP

PROVIDER: S-EPMC2979873 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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Imatinibium dipicrate.

Jasinski Jerry P JP Butcher Ray J RJ Hakim Al-Arique Q N M QN Yathirajan H S HS Narayana B B

Acta crystallographica. Section E, Structure reports online 20100120 Pt 2

IN THE CRYSTAL STRUCTURE OF IMATINIBIUM DIPICRATE [SYSTEMATIC NAME: 1-methyl-4-(4-{4-methyl-3-[4-(3-pyrid-yl)pyrimidin-2-yl-amino]-anilinocarbon-yl}benz-yl)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 proton-ated at both of the pyrimidine N atoms. Each of the two picrate anions inter-acts 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 t ...[more]

PMID: 21579830

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Imatinibium dipicrate.

Publications

Imatinibium dipicrate.

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