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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。
The crystal structure of Sarafloxacin.3H2O, a hydrate of Sarafloxacin, was determined. The molecular formula of the compound is C20H17F2N3O3, Mr = 385.36, which belongs to the monoclinic space group P-21 / n with unit parameters of a = 1.473 1 (3), b = 0.864 24 3) nm, α = 90 °, β = 96.785 (6) °, γ = 90 °, V = 1.941 8 (7) nm3, Z = 4, Dc = 1.472 Mg / = 0.120 mm-1, R1 = 0.1218, wR2 = 0.322 7 (I> 2σ (I)). The compound forms a two-dimensional network through hydrogen bonding.