Crystal Structure and DFT Studies of a Triazole Derivative： 4- （ 2-Hydrobenzylideneamino ） -3- （ 1,

• 作 者: LI Wei-hua ZHANG Shu-fang LIU
• 机 构: InstituteofOceanology,GraduateSchooloftheChineseAcademyofSciences,KeyLaboratoryofAdvancedMaterials
• 出 处: 高等学校化学研究：英文版
• 发表日期: 2007年3期
• 关键词: 三唑衍生物 合成 晶体结构 DFT 4-(2-羟亚苄基氨基)-3-(1 2 4-三唑基-甲基)1H-1 2 4-三唑-5(4H)-硫酮 Triazoles S
• 基金项目: Supported by the Key Foundation of Chinese Academay of Sciences（No. K2CX2-YW-210）.

A novel triazole derivative 4-(2-hydrobenzylideneamino)-3-(1,2,4-triazol-4-ylmethyl)-1H-1,2,4-triazole-5(4H)-thione(1) was synthesized and characterized using elemental analysis, FTIR, and 1H NMR, and its crystal structure was determined via X-ray single