Crystal structure of 2-[12-methyl-14-phenyl-10,13,14,16-tetraazatetracyclo-[7.7.0.0(2,7).0(11,15)]hexadeca-1(16), 2,4,6,9,11(15),12-heptaen-8-ylidene]propandinitrile


Mague J. T. , Mohamed S. K. , AKKURT M. , El-Kashef H. M. S. , Albayati M. R.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.70, 2014 (ESCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 70
  • Basım Tarihi: 2014
  • Doi Numarası: 10.1107/s1600536814024167
  • Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS

Özet

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