Diaqua[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato-κ4N]iron(III) trifluoromethanesulfonate–4-hydroxy-3-methoxybenzaldehyde–water (1/1/2)

Abstract

In the title compound, [Fe(C44H24Cl4N4)(H2O)2](SO3CF3)·C8H8O3·2H2O, the FeIII cation is chelated by the four N atoms of the deprotonated tetrakis(4-chlorotetraphenyl)porphyrin (TClPP) and further coordinated by two water molecules in a distorted octahedral geometry. In the crystal, the cations, anions, 4-hydroxy-3-methoxybenzaldehyde and water molecules of crystallization are linked by classical O—H...O hydrogen bonds and weak C—H...O and C—H...Cl hydrogen bonds into a three-dimensional supramolecular architecture. The crystal packing is further stabilized by weak C—H...π interactions involving pyrrole and benzene rings. π–π stacking between parallel benzene rings of adjacent 4-hydroxy-3-methoxybenzaldehyde molecules is also observed, the centroid–centroid distance being 3.8003 (13) Å. The three F atoms of the anion are disordered over two sets of sites, with a refined occupancy ratio 0.527 (12):0.473 (12). The O atom of one water molecule of crystallization is also disordered over two positions in an occupancy ratio of 0.68 (5):0.32 (5).

Keywords

• crystal structure