Crystal Structure of 1-(4-Chlorophenyl)-2-(5H-phenanthridin-6-ylidene)ethanone

Abstract

The title compound I, C₂₁H₁₄ClNO, was synthesized and the structure was investigated by X-ray crystallography. The compound crystallizes in the monoclinic crystal system and the space group P2₁/c with cell parameters a = 14.158(2)Å, b = 6.9362(12)Å, c = 15.660(3)Å, β = 96.608(3)°, Z = 4 and V = 1527.6(4)ų. The nitrogen, C(13), C(14) and C(15) atoms in the structure are coplanar and π-delocalization exists in I. The tautomer enamino ketone of I is stablized by both π-delocalization and intra-molecular hydrogen bonds.