Synthesis and crystal structure of bis(tert-butyl isocyanide-κC)[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato-κ4N]iron(II)

Abstract

In the title compound, [FeII(C44H24Cl4N4)(C5H9N)2] or [FeII(TClPP)(t-BuNC)2] [where TClPP and t-BuNC are 5,10,15,20-tetrakis(4-chlorophenyl)porphyrinate and tert-butyl isocyanide ligands, respectively], the metal ion lies on an inversion center and is octahedrally coordinated by the N atoms of the porphyrin ring in the equatorial plane and by carbon atoms of the trans t-BuNC ligands in the axial sites. The Fe—N bond length of 2.0074 (14) Å suggests a low-spin complex (S = 0). The crystal packing of the title compound is sustained by C—H...Cl, C—H...N and C__H...Cg (Cg = the centroid of a pyrrole ring of the TClPP porphyrinate) interactions, leading to a three-dimensional network. The Hirshfeld surface (HS) analysis indicates that 61.4% of the intermolecular interactions are from H...H contacts while other contributions are from C...H/H...C, O...H/H...O and N...H/H...N interactions, which comprise 21.3%, 13.3% and 3.6% of the HS, respectively.

Keywords

• crystal structure
• hirshfeld surface analysis
• iron(ii) porphyrin complex
• tert butyl isocyanide