cis-丙环唑的制备及其晶体结构的研究

Study on Preparation and Crystal Structure of cis-Propiconazole

摘要: 采用丙环唑与硝酸成盐法和硅胶柱层析法制备了cis-丙环唑,并培养出单晶,用X射线单晶衍射法确定了其立体结构。晶体属单斜晶系,P21/c空间群,晶胞参数 a=1.065 3(3) nm,b=1.894 0(6) nm,c=0.810 4(3) nm, β=100.032(6)°,Z= 4,V= 1.610 0(9) nm3, Dc=1.412 g/cm3, F(000)=712,u=0.413 mm-1,R=0.066 2,wR=0.136 9。

Abstract: cis-Propiconazole has been prepared by the methods of salt formation with nitric acid and silica gel column chromatography.Its structure was determined by X-ray diffraction analysis. The single crystal belongs to monoclinic system with space group P21/c,a =1.065 3(3) nm,b=1.894 0(6) nm, c=0.810 4(3) nm, β=100.032(6)°,Z = 4,V=1.610 0(9) nm3, Dc=1.412 g/cm3,F(000) = 712,u =0.413 mm-1,R=0.066 2, wR=0.136 9.