Crystal Structure of 3-[1-(4-Methylphenyl)-9,10-dihydro-4-azaphenanthren-3-yl]benzo[f]coumarin

Abstract

The crystal structure of the title compound is determined by single crystal X-ray structure analysis. The structure was solved by direct method and refined to a final R-value of 0.0469 for 2826 observed reflections. The benzocoumarin ring system is planar. The central ring of 4-azaphenantrene moiety has a half chair conformation, phenyl substituent forms dihedral angle of 56.46° with the mean plane of 4-azaphenantrene system. The coumarin system is rotated relative to the latter by 15.48(2)°. This orientation is stabilized by two weak intramolecular C–H···N hydrogen bonds.