物理化学学报 >> 1988, Vol. 4 >> Issue (06): 649-652.doi: 10.3866/PKU.WHXB19880616

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β-氰乙基-α-二茂铁邻氟代苄基醚的晶体和分子结构

孙晓林; 胡玉才; 新民; 张玉鸿   

  1. 内蒙古大学化学系
  • 收稿日期:1987-03-16 修回日期:1987-12-01 发布日期:1988-12-15
  • 通讯作者: 孙晓林

THE CRYSTAL AND MOLECULAR STRUCTURE OF β-CYANOETHYL-α-FERROCENYLFLUOROBENZYL ETHER

Sun Xiaolin; Hu Yucai; Xin Min; Zhang Yuhong   

  1. Department of Chemistry; Neimenggu University
  • Received:1987-03-16 Revised:1987-12-01 Published:1988-12-15
  • Contact: Sun Xiaolin

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Abstract: This paper reports the crystal and molecular structure of β-cyanoethyl-α-ferro cenylfluorobenzyl ether (C_5H_5FeC_5H_4CH(OCH_2CH_2CN)C_6H_4F). The title crystal belongs to the triclinic system and the space group is P1 with crystal parameters: a=0.7849(8) nm, b=1.1744(3) nm, c=1.9337(4) nm, α=74.99(1)°, β=87.28(5)°, γ=86.61(5)°, V=1.7176(2) nm, Z=4, D_c=1.405 g cm~(-3). The crystal was solved with direct method and fourier synthesis, refined with full matrix least-squares. The refinement eonveraged to R=0.043.
There are two molecules in an asymmetry unit. The geometrical features of the molecules and the characteristics of the molecular packing are discussed.