Imatinibium dipicrate

Abstract

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], C29H33N7O2+·2C6H2N3O7−, 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 R12(6) ring motifs. Also, an R22(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.