Crystal structure of 2-[12-methyl-14-phenyl-10,13,14,16-tetraazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaen-8-ylidene]propandinitrile

Abstract

In the title molecule, C22H12N6, the fused tetracyclic core shows a small lengthwise twist as indicated by the dihedral of 2.7(2)° between the outer rings. In the crystal, molecules stack along the b-axis direction via offset π-stacking [centroid-centroid distances = 3.5282(13) and 3.5597(14)Å] with the stacks weakly associated through C-H⋯N hydrogen bonds. The phenyl ring is rotationally disordered over two orientations with an occupancy ratio of 0.516(4):0.484(4).