Acta Crystallographica Section C

Crystal Structure Communications

Volume 59, Part 1 (January 2003)

metal-organic compounds

Acta Cryst. (2003). C59, m13-m15 [ doi:10.1107/S0108270102021819 ]

Ethyl and isopropyl 4-ferrocenylbenzoate

F. P. Anderson, J. F. Gallagher, P. T. M. Kenny, C. Ryan and D. Savage

Abstract: The title compounds, [Fe(C₅H₅)(C₁₄H₁₃O₂)] and [Fe(C₅H₅)(C₁₅H₁₅O₂)], respectively, contain the ferrocenyl [eta] ⁵(C₅H₄) and phenylene -C₆H₄- rings in a nearly coplanar arrangement, with interplanar angles of 6.88 (12) and 10.5 (2)°, respectively. Molecules of the ethyl ester form dimers through [eta] ⁵(C₅H₅)C-HO=C hydrogen bonds, with graph set R ${_2^2}$ (20), and, together with Csp³-H [pi] (C₅H₅) interactions, generate a one-dimensional column (irregular ladder). Molecules of the isopropyl ester aggregate through [eta] ⁵(C₅H₅)C-H [pi] (C₆H₄) interactions.

Formula: [Fe(C₅H₅)(C₁₄H₁₃O₂)] and [Fe(C₅H₅)(C₁₅H₁₅O₂)]


	Structure factor file (CIF format) (185.3 kbytes) Contains datablock II

	Structure factor file (CIF format) (164.5 kbytes) Contains datablock III

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