Sarafloxacin·3H_2O的晶体结构

Crystal Structure of Sarafloxacin Trihydrate

测定了沙拉沙星(Sarafloxacin)水合物Sarafloxacin.3H2O的晶体结构。该化合物的分子式为C20H17F2N3O3,Mr=385.36,属单斜晶系,P-21/n空间群,晶胞参数:a=1.473 1(3),b=0.864 24(17),c=1.535 9(3)nm,α=90°,β=96.785(6)°,γ=90°,V=1.941 8(7)nm3,Z=4,Dc=1.472 Mg/m3,F(000)=900,μ=0.120mm-1,R1=0.121 8,wR2=0.322 7(I>2σ(I))。该化合物通过氢键形成二维网状结构。

Sarafloxacin ·3H2O was characterized by X-ray single crystal diffraction analysis. It belongs to monoclinic crystal system,space group is P-2：/n with cell parameters ：C20H17F2N3O3 , Mr = 385. 36,a=1.4731（3）,b=.86424（17）,c=1.5359（3）am,α=90°,β=96.785（6）°,γ=90°,V=1.9418（7）nm^3,Z=4,Dc=1.472Mg/m^3,F（000）=900,μ=0.120mm^-1,R1=0.1218,ωR2=0.3227（I〉2σ（I））. A two- dimensional network is generated by hydrogen bonds.