Cargando…
Synthesis and crystal structure of bis(tert-butyl isocyanide-κC)[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato-κ(4) N]iron(II)
In the title compound, [Fe(II)(C(44)H(24)Cl(4)N(4))(C(5)H(9)N)(2)] or [Fe(II)(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 coordinate...
Autor principal: | |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2023
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10561214/ https://www.ncbi.nlm.nih.gov/pubmed/37817953 http://dx.doi.org/10.1107/S2056989023008083 |
Sumario: | In the title compound, [Fe(II)(C(44)H(24)Cl(4)N(4))(C(5)H(9)N)(2)] or [Fe(II)(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. |
---|