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12-(4-Chloro­phen­yl)-7-methyl-10-phenyl-3,4,5,6,8,10-hexa­aza­tricyclo­[7.3.0.0(2,6)]dodeca-1(9),2,4,7,11-penta­ene

The 12 non-H atoms defining the triple-fused-ring system in the title compound, C(19)H(13)ClN(6), 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 [di...

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Detalles Bibliográficos
Autores principales: Shah, Rina D., Jotani, Mukesh M., Tiekink, Edward R. T.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3011633/
https://www.ncbi.nlm.nih.gov/pubmed/21589583
http://dx.doi.org/10.1107/S1600536810048373
Descripción
Sumario:The 12 non-H atoms defining the triple-fused-ring system in the title compound, C(19)H(13)ClN(6), 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 N(4)C and C(4)N five-membered rings = 3.484 (2) Å] stacking occur. A very long C—Cl⋯π contact is also seen.