高等学校化学学报

高等学校化学学报 ›› 1986, Vol. 7 ›› Issue (11): 1031.

• 研究论文 • 上一篇    下一篇

N-苄基-N-(2-氰乙基)-二茂铁磺酰胺的晶体和分子结构

新民1, 韩玉鼎1, 刘启旺1, 胡玉才1, 黄锦顺2   

  1. 1. 内蒙古大学化学系;
    2. 中国科学院福建物质结构研究所
  • 收稿日期:1985-07-30 出版日期:1986-11-24 发布日期:1986-11-24

Crystal and Molecular Structure of C5H5FeC6H4SO2N （C2H4CN）CH2C6H5

Xin Min1, Han Yuding1, Liu Qiwang1, Hu Yucai1, Huang Jinsun2   

  1. 1. Neimenggu University Huhehaote;
    2. Fujian Institute oj Research of the Structure of Matter, Academia Sinica Fuzhou
  • Received:1985-07-30 Online:1986-11-24 Published:1986-11-24

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被引次数

2

摘要： N-等基-N-(2-氰乙基)-二茂铁磺酰胺[C5H5FeC5H4SO2N(C2H4CN)CH2C6H5]为黄色柱状晶体,属单斜晶系,空间群P21/n,晶胞参数为:α=8.750(1),b=12.876(5),c=16.744(2)Å,β=94.75(1)°,V=1880.0Å3,Z=4,计算密度Dcalc=1.442g/cm3。在CAD-4四园衍射仪上,用MoKα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sp3杂化与周围原子健合。

Abstract: The crystal structure of C5H5FeC5H4SO2N(C2H4CN)CH2C6H5 was determined by X-ray analysis The crystal is monoclinic,belonging to space group P21/n with unit cell dimensions.a=8.750(1),b=12.876(5),c=16.744(2)Å β=94.75(1),V=1880.0Å3,Z=4,Dc=1.442g/cm3.The intensities of 2226 independent reflections with I≥2°(I)were collected on a GAD-4 four-circle diffractometer using Mo Ka radiation.The structure was solved by Patterson method and difference fourier synthesis,and refined by full-matrix Least-squares.Final discrepancy factor R=0.0466.All calculations were performed with a PDP 11/34 computer using SDPprograms.The coordination features of Sand Natoms of the molecule are discussed.The crystal structure of C5H5FeC5H4SO2N(C2H4CN)CH2C6H5 was determined by X-ray analysis The crystal is monoclinic,belonging to space group P21/n with unit cell dimensions.a=8.750(1),b=12.876(5),c=16.744(2)A β=94.75(1),V=1880.0A3,Z=4,Dc=1.442g/cm3.The intensities of 2226 independent reflections with I≥2°(I)were collected on a GAD-4 four-circle diffractometer using Mo Ka radiation.The structure was solved by Patterson method and difference fourier synthesis,and refined by full-matrix Least-squares.Final discrepancy factor R=0.0466.All calculations were performed with a PDP11/34 computer using SDPprograms.The coordination features of Sand Natoms of the molecule are discussed.

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