Crystal structure and Hirshfeld surface analysis of the coordination compound diaqua[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato-κ ⁴ <i>N</i> ]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-Mg^II porphyrin complex crystallizes in the <i>I</i>4/<i>m</i> 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 <i>a</i> 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.