2,3-Diphenyldibenzo[b,f]imidazo[1,2-d][1,4]oxazepine-6,7-dicarbonitrile

The study focuses on the synthesis and structural characterization of 2,3-diphenyldibenzo[b,f]imidazo[1,2-d][1,4]oxazepine-6,7-dicarbonitrile. The target compound was obtained via a nucleophilic aromatic substitution reaction between 2-(2-hydroxyphenyl)-4,5-diphenyl-1H-imidazole and 4,5-dichlorophthalonitrile in the presence of potassium carbonate in DMF. The structure was confirmed by IR, 1H NMR, 13C NMR spectroscopy, mass spectrometry, and elemental analysis. The molecular packing and intermolecular interactions were elucidated by single-crystal X-ray diffraction analysis. The crystal structure reveals the presence of one independent molecule in the asymmetric unit, stabilized by weak C–H···π, C–H···N, H···H and π···π interactions.