Crystal structure of 4-methyl-2-oxo-2H-chromen-7-yl ferrocenecarboxylate

Abstract

The title molecule, [Fe(C5H5)(C16H11O4)], consists of a ferrocenyl moiety and a 4-methylcoumarin group linked through an ester unit to one of the cyclopentadienyl (Cp) rings. The two Cp rings are virually parallel, with an angle between the two least-squares planes of 0.74 (16)°. The distances between the FeII atom and the centroids of the two Cp rings are 1.639 (2) and 1.652 (2) Å. The conformation of the ferrocenyl moiety is slightly away from eclipsed. The dihedral angle between the coumarin ring system and the ferrocenyl ester moiety is 69.17 (19)°. π–π stacking interactions involving the benzene rings of neighbouring coumarin moieties, with centroid–centroid distances of 3.739 (2) Å, consolidate the crystal packing.

Keywords

• crystal structure
• ferrocene
• coumarin
• pharmacological activity 4-methyl-2-oxo-2H-chromene-7-yl ferrocenecarboxylate