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

Synthesis and Molecular Structure of 1,5-Diphenyl-3-phenacylthio-1H-1,2,4-triazole
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摘要 The title compound 1,5-diphenyl-3-phenacylthio-1H-1,2,4-triazole 2 (C22H17- N3OS, Mr = 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-, 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/cm^3,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. The title compound 1,5-diphenyl-3-phenacylthio-1H-1,2,4-triazole 2 (C22H17- N3OS, Mr = 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-, 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/cm^3,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.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2006年第8期1019-1023,共5页 结构化学(英文)
基金 The project was supported by the Key Laboratory of Organic Synthesis of Jiangsu Province (JSK016)
关键词 TRIAZOLE 1-benzoyl-3-phenylaminothiourea crystal structure triazole, 1-benzoyl-3-phenylaminothiourea, crystal structure
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