Synthesis and Crystal Structure of 3-(1H-benzo[d][1,2,3]triazol-1-yl)-1-(4-ethylphenyl)-1-oxopropan-2-yl-4-methylbenzoate

Abstract

A new benzotriazol compound 3-(1H-benzo[d][1,2,3]triazol-1-yl)-1-(4-ethyl phenyl)-1- oxopropan-2-yl-4-methylbenzoate was synthesized by four step reactions. Its structure was characterized by element analysis, IR spectrum and X-ray diffraction. It crystallizes in monoclinic, space group P21/c with a = 12.331(3) Å, b = 8.9625(18) Å, c = 20.363(4) Å, b = 105.11(3)°, C₂₅H₂₃N₃O₃, Mr = 413.46, V = 2172.6(9) Å3, Z = 4, Dc = 1.264 g/cm3, F(000) = 827, μ = 0.084 mm^-1, R = 0.1004 and wR = 0.0709. The dihedral angles between the benzotriazole group and the methyl and ethyl substituted benzene rings are 89.63° and 10.18°, respectively. The methylphenyl ring and the ethylphenyl ring make dihedral angles of 79.68°. Intermolecular C–H···O hydrogen bonds together with C–H···p interactions contribute to stability of the structure and form a three-dimensional framework.