论文信息 - 9-Methyl-3-phenyldiazenyl-9H-carbazole: X-ray and DFT-calculated structures.

9-Methyl-3-phenyldiazenyl-9H-carbazole: X-ray and DFT-calculated structures.

The title compound, C19H15N3, was prepared by condensation of 3-nitrosocarbazole and aniline with subsequent methylation. The structure is built up of stacks of almost planar molecules. Density functional theory (DFT) calculations predict a completely planar conformation, different from that observed in the crystal lattice. HOMA (harmonic oscillator model of aromaticity) indices, calculated for three aromatic rings, demonstrate the small influence of the azo substituent on π electrons in the carbazole system.

J. Kyzioł | K. Ejsmont

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