5-甲基-2-苯基-3-噻吩基-7-噻吩亚甲基-3,3a,4,5,6,7-六氢吡唑并[4,3-c]吡啶的微波合成和结构表征  

Synthesis and crystal structure of 5-methyl-2-phenyl-3-(thiophen-2-yl) 7-(thiophen-2-ylmethylene)-3,3a,4,5,6,7-hexahydro pyrazolo [4,3-c] pyridine under microwave irradiation

作　　者：彭菊花[1] 贾润红[1] 郝文娟[2] 屠树江[2] 

机构地区：[1]连云港师范高等专科学校,江苏连云港222006 [2]徐州师范大学化学化工学院,江苏徐州221116

出　　处：《分子科学学报》2011年第5期314-318,共5页Journal of Molecular Science

基　　金：国家自然科学基金资助项目(200810102050)

摘　　要：标题化合物(C22H21N3S2)以3,5-二-(2-噻吩基)-1-甲基哌啶-4-酮、苯肼为原料,乙二醇为溶剂,在微波辐射下合成得到.其结构通过单晶X射线衍射法确定,属三斜晶系,空间群P1,相对分子质量Mr=391.54,晶胞参数a=0.804 14(10)nm,b=2.993 9(3)nm,c=0.851360(11)nm,V=1.956 9(3)nm3,Z=4,晶胞密度Dc=1.329 g/cm3,吸收系数μ=0.284 mm-1,单胞中电子的数目F(000)=824.晶体结构用直接法解出,经全矩阵最小二乘法对原子参数进行修正,最终的偏离因子为R=0.072 7,ωR=0.087 8.The title compound has been synthesized by the reaction of 1-methyl-3,5-bis （thiophen-2-ylmethylene） piperidin-4-one and phenylhydrazine in ethylene glycol under microwave irradiation. The structure was determined by single crystal X-my diffraction.The crystal is tri-clinic,space group P1 with Mr= 391.54, a = 0.804 14 （10） nm, b =2.993 9 （3） nm, c =0.851 360 （11） nm, V= 1.956 9 （3） nm^3,Z =4, Dc = 1.329 g/cm^3, μ=0.284 mm^-1, F（000） = 824. The structure was solve by directmet hodsand refined by full-mat rix least squares method to the final R = 0. 072 7, ωR = 0.087 8.

关 键 词：吡唑并吡啶 合成 微波 晶体结构 

分 类 号：O641[理学—物理化学]