1,3,3a,5-四苯基-3a,4,5,11-四氢-3H,6H-1,2,4-三唑并[4,3-d][1,5]苯并二氮杂的合成及晶体结构

Synthesis and Crystal Structure of 1,3,3a,5 Tetraphenyl 3a,4,5,11 tetrahydro 3H,6H 1,2,4 triazolobenzodiazepine

通过２，４－二苯基－２，３－二氢－１Ｈ－１，５－苯并二氮杂与苯甲酰氯苯腙的［２＋３］环加成反应制备了标题化合物，用Ｘ射线单晶衍射仪测定了其晶体结构．晶体属正交晶系，空间群为Ｆｄｄ２．晶胞参数：ａ＝１．７６２８（４）ｎｍ，ｂ＝５．７５１２（１２）ｎｍ，ｃ＝１．０２２７ｎｍ，Ｖ＝１０．３６８（５）ｎｍ３，Ｚ＝１６，Ｄｃ＝１．２６２ｇ·ｃｍ－３，μ＝０．０７５ｍｍ－１，Ｆ（０００）＝４１６０，１１３９个可观测衍射点，Ｒ＝０．０４６１，Ｒｗ＝０．０５６０．

The title compound was synthesized by cycloaddition reaction of 2,4 diphenyl 2,3 dihydro 1H 1,5 benzodiazepine and benzenecarbohydrazonic chloride and its crystal structure was determined by X ray diffraction method. The single crystals belong to orthorhombic, space group Fdd2 with a = 1.762 8(4) nm, b = 5.751 2(12) nm, c = 1.022 7(2) nm, V = 10.368(5) nm 3, Z =16, D C= 1.262 g·cm -3 , μ = 0.075 mm -1 , F (000)=4 160 for 1 339 reflections, R = 0.046 1 , R W= 0.056 0.