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

In the title compound, C19H14N6O, the fused 12-membered tetrazolo/pyrimidine/pyrrole ring system is almost planar (r.m.s. deviation = 0.013 Å). The 4-methoxyphenyl and phenyl substituents on the pyrrole ring are both twisted with respect to the fused-ring system [dihedral angles =...

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Veröffentlicht in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2010-04, Vol.66 (4), p.o805-o805
Hauptverfasser: Jotani, Mukesh M., Shah, Rina D., Tiekink, Edward R. T.
Format: Artikel
Sprache:eng
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Zusammenfassung:In the title compound, C19H14N6O, the fused 12-membered tetrazolo/pyrimidine/pyrrole ring system is almost planar (r.m.s. deviation = 0.013 Å). 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)°, respectively]. Intramolecular C—H...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...π and π–π [centroid–centroid separation = 3.608 (3) Å] interactions.
ISSN:1600-5368
1600-5368
DOI:10.1107/S160053681000869X