Direct and outer-sphere coordination of the magnesium ions in the crystal structures of complexes with 2-furancarboxylic acid (I) and 3-furancarboxylic acid (II)

Abstract

(I) Mg₂C₂₀H₂₄O₁₈ monoclinic,PT,a=10.760(2) Å,b=11.052(2) Å,c=12.822(3) Å, α=105.31(3)^o, β=98.18(3)^o, γ=91.59(3)^o,Z=2. (II) MgC₁₀H₁₄O₁₀, monoclinic,C2/c,a=30.817(6)Å,b=10.499(2)Å,c=9.000(2)Å, β=91.31(3)^o,Z=8. Magnesium in complexes with furoic acids reveals two ways of coordination: direct, when furoic anions are bonded to Mg²⁺ in an ionic fashion and outer-sphere, when cations bind water in the first coordination sphere and furancarboxylic ligands are hydrogen bonded to the water molecules. This results in the formation of three bridging systems: −Mg−O_carboxyl−C−O_carboxyl−Mg−, −Mg−O_water −O_carboxyl−C−O_carboxyl−C−O_carboxyl−Mg−, and −Mg−O_water−O_carboxyl−C−O_carboxyl−O_water−Mg−. Magnesium 2-furancarboxylate (I) is dimeric, while magnesium 3-furancarboxylate (II) exhibits a polymeric structure.