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Citation: Sun Xiaolin, Hu Yucai, Xin Min, Zhang Yuhong. THE CRYSTAL AND MOLECULAR STRUCTURE OF β-CYANOETHYL-α-FERROCENYLFLUOROBENZYL ETHER[J]. Acta Physico-Chimica Sinica, ;1988, 4(06): 649-652. doi: 10.3866/PKU.WHXB19880616 shu

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

1.
Department of Chemistry; Neimenggu University

Received Date: 16 March 1987
Available Online: 15 December 1988

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.
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