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 π-ring and π-π inter-molecular inter-actions are observed which also influence crystal packing.

SUBMITTER: Jasinski JP 

PROVIDER: S-EPMC2979873 | biostudies-literature | 2010 Jan

REPOSITORIES: biostudies-literature