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Methyl 3-ferrocenylpropanoate

The title compound, Fe(C_5H_5)(C_9H_11O_2), was prepared and characterized by spectroscopic methods and crystal structure determination. The average values of the bond distances between the C atoms in the cyclopentadienyl rings are 1.422(3)A in the substituted and 1.404(4)A in the unsubstituted ring. The Fe-C bond angles in both rings range from 107.1(2) to 108.9(2)o. The cyclopentadienyl rings are almost parallel and deviate only slightly from the eclipsed conformation. The molecules are connected into dimers by very weak C-H· ; · ; O intermolecular hydrogen bonds.

Single-crystal X-ray study ; T = 295K ; Mean sigma(C-C) = 0.003 A ; R factor = 0.036 ; wR factor = 0.099 ; Data-to-parameter ratio = 20.9

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