Crystal structure and Hirshfeld surface analysis of the coordination compound di-aqua-[5,10,15,20-tetra-kis-(4-chloro-phen-yl)porphyrinato-κ4 N]magnesium(II).

During the synthesis of the (oxalato)[5,10,15,20-tetra-kis-(4-chlor-ophen-yl)porphyrinato]magnesium(II) ([Mg(TClPP)(ox)]) complex [TClPP = 5,10,15,20-tetra-kis-(4-chloro-phen-yl)porphyrinate and ox = oxalate], the title compound, [Mg(C44H24ClMgN4O2)(H2O)2] ([Mg(TClPP)(H2O)2]), was obtained as a by-product. The di-aqua-MgII porphyrin complex crystallizes in the I4/m space group. In the asymmetric unit, except for two carbon atoms of the phenyl ring, all atoms lie on special positions. In the crystal, the [Mg(TClPP)(H2O)2] mol-ecules form layers parallel to the a axis. The crystal packing features C-H⋯π inter-actions involving the pyrrole rings and non-conventional O-H⋯Cl hydrogen bonds between the oxygen atom of the water axial ligands and the chloride of neighboring phenyl groups. Hirshfeld surface analysis indicates that inter-molecular contacts are dominated by H⋯H (50.2%), followed by H⋯Cl (21.6%) and H⋯C (21.2%) inter-actions, then by less chemically meaningful C⋯Cl (6.0%) contacts.