Synthesis and Molecular Structure of 1,5-Diphenyl-3-phenacylthio-1H-1,2,4-triazole

摘要

The title compound 1,5-diphenyl-3-phenacylthio-1 H-1,2,4-triazole 2 (C22H17N3OS, Mr = 371.45) was prepared by the reaction of l-benzoyl-3-phenyl-aminothiourea 1 with 2-bromoacetophenone. The crystal is of triclinic, space group P(1), a = 8.906(3), b = 9.853(3), c=11.226(4) (A), α= 100.562(5), β= 101.285(5), γ. = 105.096(6)c, Z = 2, V = 903.7(5) (A)3, Dc=1.365 g/cm3,μ(MoKa) = 0.196 mm-1, F(000) = 388, the final R = 0.0506 and wR = 0.0985 for 2532 observed reflections (I＞ 2σ(I)). Its formation mechanism was proposed.