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N-等基-N-(2-氰乙基)-二茂铁磺酰胺[C_5H_5FeC_5H_4SO_2N(C_2H_4CN)CH_2C_6H_5]为黄色柱状晶体,属单斜晶系,空间群P2_1/n,晶胞参数为:α=8.750(1),b=12.876(5),c=16.744(2)A,β=94.75(1)°,V=1880.0A~3,Z=4,计算密度D_(calc)=1.442g/cm~3。在CAD-4四园衍射仪上,用MoK_α射线收集衍射数据,用Patterson函数法和差值Fourior合成求解晶体结构。经以2226个独立衍射点用全矩阵最小二乘修正,最后使偏离因子R=0.0466.分子中S原子、N原子以不等性sp~3杂化与周围原子健合。
N- (2-cyanoethyl) -ferrocene sulfonamide [C_5H_5FeC_5H_4SO_2N (C_2H_4CN) CH_2C_6H_5] is a yellow columnar crystal and belongs to monoclinic system with space group P2_1 / n. The unit cell parameters are α = 8.750 (1), b = 12.876 (5), c = 16.744 (2) A, β = 94.75 (1) °, V = 1880.0A -3 and Z = 4. Calculate the density D calc = 1.442 g / cm ~ 3. On the CAD-4 Siyuan diffractometer, diffraction data were collected using MoK_α radiation and the crystal structure was solved using the Patterson function method and the difference Fourior synthesis. After 2226 independent diffraction points were corrected by full matrix least squares, the deviation factor R was finally 0.0466. The S atom and the N atom in the molecule were well matched with the surrounding atoms by the sp ~ 3 hybridization.