12-(4-Chlorophenyl)-7-methyl-10-phenyl-3,4,5,6,8,10-hexaazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

12-(4-Chlorophenyl)-7-methyl-10-phenyl-3,4,5,6,8,10-hexaazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

The 12 non-H atoms defining the triple-fused-ring system in the title compound, C19H13ClN6, are almost coplanar (r.m.s. deviation = 0.023 Å). The chloro-substituted ring is almost effectively coplanar with the central atoms [dihedral angle = 6.74 (13)&amp...

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Bibliographic Details
Main Authors: Rina D. Shah, Mukesh M. Jotani, Edward R. T. Tiekink
Format: Article
Language:English
Published: International Union of Crystallography 2010-12-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536810048373
Description
Summary:The 12 non-H atoms defining the triple-fused-ring system in the title compound, C19H13ClN6, are almost coplanar (r.m.s. deviation = 0.023 Å). The chloro-substituted ring is almost effectively coplanar with the central atoms [dihedral angle = 6.74 (13)°], but the N-bound benzene ring is not [dihedral angle = 54.38 (13)°]. In the crystal, supramolecular chains along the a axis sustained by C—H...π and π–π [centroid–centroid distance between N4C and C4N five-membered rings = 3.484 (2) Å] stacking occur. A very long C—Cl...π contact is also seen.
ISSN:1600-5368

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