Synthesis and molecular structure of 1,5-diphenyl-3-phenacylthio-1H-1,2,4-triazole

The title compound 1,5-diphenyl-3-phenacylthio-1H-1,2,4 -triazole 2 (C22H17N3OS, M-r = 371.45) was prepared by the reaction of 1-benzoyl-3-phenyl-aminothiourea 1 with 2-bromoacetophenone. The crystal is of triclinic, space group P (1) over bar, a = 8.906(3), b = 9.853(3), c = 11.226(4) angstrom, alpha = 100.562(5), beta = 10 1.285(5), gamma = 105.096(6) Z = 2, V = 903.7(5) angstrom(3), D-c = 1.365 g/cm(3), mu(MoK alpha) = 0.196 mm(-1), F(000) = 388, the final R = 0.0506 and wR = 0.0985 for 2532 observed reflections (1 > 2 sigma(I)). Its formation mechanism was proposed.