A potential iron pharmaceutical composition for the treatment of iron-deficiency anaemia. The crystal and molecular structure of mer-tris-(3-hydroxy-2-methyl-4H-pyran-4-onato)iron(III)

Abstract

mer-Tris(3-hydroxy-2-methyl-4H-pyran-4-onato)iron(III) has potential use in the treatment of iron-deficiency anaemia. It displays the ideal properties that a new iron chelation complex must possess to be an effective treatment. These properties are discussed. The crystal and molecular structure of this complex has been determined from single-crystal X-ray diffraction data and refined by least squares to R= 0.0649 for 2 735 independent reflections. The compounds crystallizes in the monoclinic space group P2₁/c with cell dimensions a= 7.369(1), b= 14.720(3), and c= 19.964(5)Å, β= 100.41(2)°, and Z= 4. The iron atom lies in a distorted octahedral environment with the three ligands bonded through the hydroxy and ketone oxygen atoms to give the mer configuration. Variable-temperature ⁵⁷Fe Mössbauer data for the complex are reported and the results are discussed in relation to the structure.