Crystal structure of 2-[12-methyl-14-phenyl-10,13,14,16-tetra-aza-tetra-cyclo[7.7.0.0(2,7).0(11,15)]hexa-deca-1(16),2,4,6,9,11(15),12-heptaen-8-yl-idene]propandi-nitrile.
Acta Crystallogr Sect E Struct Rep Online
; 70(Pt 12): o1244-5, 2014 Dec 01.
Article
en En
| MEDLINE
| ID: mdl-25553023
In the title mol-ecule, C22H12N6, the fused tetracyclic core shows a small lengthwise twist as indicated by the dihedral of 2.7â
(2)° between the outer rings. In the crystal, mol-ecules stack along the b-axis direction via offset π-stacking [centroid-centroid distances = 3.5282â
(13) and 3.5597â
(14)â
Å] with the stacks weakly associated through C-Hâ¯N hydrogen bonds. The phenyl ring is rotationally disordered over two orientations with an occupancy ratio of 0.516â
(4):0.484â
(4).
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En
Revista:
Acta Crystallogr Sect E Struct Rep Online
Año:
2014
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Article
País de afiliación:
Estados Unidos
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Estados Unidos