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Journal of Structural Chemistry

2011 year, number 5

CRYSTAL AND MOLECULAR STRUCTURE OF 2-FERROCENYL-2-PROPANOL

A. D. Vasiliev, P. V. Fabinskii, E. E. Sergeev, V.A. Fedorov
Keywords: 2-ferrocenyl-2-propanol, crystal and molecular structure, single crystal X-ray diffraction, IR, electronic spectrum
Pages: 968-972

Abstract

The crystal and molecular structure of 2-ferrocenyl-2-propanol is studied by means of physicochemical methods. The compound crystallizes in the form of three crystallographically independent molecules with slightly different conformations. Crystals are monoclinic, C13H16FeO: a = 6.2687(7) Å, b = 36.614(4) Å, c = 15.291(2) Å; β = 97.86(2)°; V = 3477.2(7) Å3, Z = 12, dx = 1.396 g/cm3, P21/n space group. The molecule consists of the ferrocene fragment and the isopropyl carbinol substituent.