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β—二茂铁丙酰氮丙啶的分子和晶体结构
引用本文:刘启旺,李逢泽.β—二茂铁丙酰氮丙啶的分子和晶体结构[J].宁夏大学学报(自然科学版),1991,12(1):31-34.
作者姓名:刘启旺  李逢泽
作者单位:内蒙古大学 (刘启旺),内蒙古大学(李逢泽)
摘    要:本文报导用单晶X射线衍射仪测定β-二茂铁丙酰氮丙啶(C_5H_5FeC_5H_4C_2H_4CO·NC_2H_4)的晶体和分子结构。该晶体属正交晶系,P2_1Cn空间群,晶胞参数为a=5.792(7),b=7.588(9),c=30.491(8)(?),V=1340.4 (?)~3,z=4。Fe原子坐标用直接法和Patterson函数法定出,其他原子坐标以差值Fourier合成求得,经过最小二乘法修正,R因子为0.087。文中对分子的几何构型和氮丙啶环的排布方式作了讨论。

关 键 词:二茂铁  丙酰氮丙啶  分子  晶体结构

The Crystal and Molecular Structure of Ferrocenepropionylaziridine
Liu Qiwang Li Fengze.The Crystal and Molecular Structure of Ferrocenepropionylaziridine[J].Journal of Ningxia University(Natural Science Edition),1991,12(1):31-34.
Authors:Liu Qiwang Li Fengze
Institution:Nei Monggol University
Abstract:The crystal and molecular structure of the title compound was determined by X-ray analysis. The crystal is orthorhombic, belonging to space group P2_1Cn with cell dimensions a=5.792(7), b=7.588(9), c=30.491(3)(?), V=1340.4(?)~3, z=4. The structure was solved by Patterson and direct methods, and difference Fourier synthesis, corrected by full-matrix leastsquares procedure to the discrepancy factor R=0.087, The geometrical features of the molecules as well as the characteristics of the aziridine ring packing are discussed.
Keywords:ferrocenepropionylaziridine  crystal and molecular structure  
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