【摘要】 通过4,4’-一氧二(异氰酸苯酯)与异丙醇加成反应,合成标题化合物4,4’-一氧二(苯胺灵)(Ⅰ)(C20H24N2O5,Mr=372.41),并用X射线衍射、红外光谱、13C核磁共振、电子轰击质谱和元素分析对标题化合物进行表征.晶体属于三斜晶系,空间群为P1.晶体学参数为:a=0.85107(17),b=0.91164(18),c=1.45701(3)nm,α=80.44(3)°,β=85.25(3)°,γ=62.88(3)°,V=0.9922(3)nm3,Z=2,Dc=1.247g·cm-3,μ(MoKα)=0.90cm-1,F(000)=396.两个苯环平面之间的夹角为62.06°(0.06°).晶体结构经全矩阵最小二乘法修正,最终偏离因子R=0.0520,wR=0.1434(对可观察点).此化合物应具有广谱的生物活性.更多还原

【Abstract】 The title compounds 4,4′ oxobis(propham)(Ⅰ)(C20H24N2O5, Mr=372.41) was synthesized by the addition reaction of the corresponding 4,4′ oxobisphenyl diisocyanate with isopropanol. The crystal structure was determined by X ray diffraction method. The crystal is of triclinic system, space group P1 with a=0.85107(17), b=0.91164(18), c=1.45701(3) nm, α=80.44(3)°, β=85.25(3)°, γ= 62.88(3)°, V=0.9922(3)nm3, Z=2, Dc=1.247 g·cm-3,μ(MoKα)=0.90 cm-1,F(000)=396, R=0.0520 , wR=0.1434 for 4336 observed reflections with . X ray analysis reveals that interatomic distances for O(2)-C(7) is 0.12142(19), O(4)-C(17) is 0.12136(18)nm, this obviously shows the formation of C=O double bonds and distances N1…O4=0.295310 nm and N2…O2=0.2941 nm show the formation of a weak hydrogen bonds.更多还原