Synthesis and Crystal Structure of 3-(1H-Benzotriazolyl)- 1-(4-nitrophenyl)-1-oxopropan-2-yl-4-ethylbenzoate

Abstract

The title compound 3-(1H-benzotriazolyl)-1-(4-nitrophenyl)-1- oxopropan-2-yl-1-oxopropan-1-oxopropan -2-yl- 4-ethylbenzoate, was synthesized and characterized by means of ¹H NMR, IR spectrum and X-ray diffraction. It crystallizes in monoclinic, space group P21/c with a = 18.895(4), b = 6.9805(14), c = 8.105(4) Å, β = 116.755(3)º, C₂₄H₂₀N₄O₅, Mr = 444.44, V = 2132.3(8)ų, Z = 4, D_c = 1.384 g/cm³, F(000) = 928, μ = 0.1 mm^-1, R = 0.0528 and wR = 0.1604. The benzotriazole ring and phenyl (C10-C15) makes dihedral angles of 98.7º. There is obvious potentially weak intermolecular C–H···N in the crystal, which stabilizes the crystal structure. ¹H NMR and IR spectra are in good agreement with the structural data.