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

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

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.70, 2014 (ESCI, Scopus)

• Publication Type: Article / Article
• Volume: 70
• Publication Date: 2014
• Doi Number: 10.1107/s1600536814024167
• Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
• Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
• Erciyes University Affiliated: Yes

Abstract

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).