摘要
合成了标题化合物(C8H5F3N2S),通过元素分析和X-射线单晶衍射对其结构进行了表征。化合物的分子式是C8H5F3N2S,晶体属于单斜晶系,空间群为P2(1)/c,晶胞参数为a=18.926(2),b=9.832 6(9),c=20.937(1),β=91.32o,V=3 895.18(68)3,Z=16,Dc=1.488 g/cm3,Rgt(F)=0.065 9,ωRref(F2)=0.218 7,T=293 K,Mr=218.20,F(000)=1 760,最终偏差因子(对I>2σ(I)的衍射点)R1=0.065 9,ωR2=0.143 7,对全部衍射点R1=0.169 4,ωR2=0.218 7。
The title complex C8H5F3N2S is synthesized and characterized by elemental analysis. The crystal structure is determined by X- ray diffraction method, the complex is monoclinic system and space group is P2 ( 1 )/c. Cell parameters are a = 18. 926 (2) A, b = 9. 832 6 (9) A,c = 20. 937 ( 1 ) A,β = 91.32°, V = 3895.18(68)A3, Z = 16, Dc= 1.488 g/cm3,Rgt(F) = 0.065 9,ωRref(F2) = 0.218 7, T = 293 K,Mr= 218.20, F(000) = 1 760,final windage gene(I 〉2σ(I)) : R1 = 0.065 9,ωR2 = 0. 143 7. All the diffractions are R1 = 0. 169 4 ,ωR2 = 0. 218 7.
出处
《湖北理工学院学报》
2012年第6期34-36,40,共4页
Journal of Hubei Polytechnic University
基金
湖北省教育厅B类项目(项目编号:B20114404)
关键词
三氟甲基
吡唑
晶体结构
trifluoromethyl
pyrazole
crystal structure