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

Jotani, M.M. and Shah, R.D. and Tiekink, E.R.T. (2010) 12-(4-Methoxyphenyl)-10-phenyl-3,4,5,6,8,10-hexaazatricyclo[, 6)]dodeca-1(9),2,4,7,11-pentaene. Acta Crystallographica Section E: Structure Reports Online, 66 (4). O805-U2091. ISSN 1600-5368,

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In the title compound, C19H14N6O, the fused 12-membered tetrazolo/pyrimidine/pyrrole ring system is almost planar (r.m.s. deviation = 0.013 angstrom). The 4-methoxyphenyl and phenyl substituents on the pyrrole ring are both twisted with respect to the fused-ring system [dihedral angles = 25.39 (18) and 36.42 (18)degrees, respectively]. Intramolecular C-H center dot center dot center dot N interactions occur. In the crystal, molecules pack into layers in the ac plane and these are connected along the b axis via C-H center dot center dot center dot pi and pi-pi [centroid-centroid separation = 3.608 (3) angstrom] interactions.

Item Type: Article
Subjects: Q Science > QC Physics
Depositing User: MR Faizal II H
Date Deposited: 24 Nov 2015 01:36
Last Modified: 31 Jan 2019 04:28
URI: http://eprints.um.edu.my/id/eprint/14789

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