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...

Descripción completa

Detalles Bibliográficos
Autor principal: Nasri, Soumaya
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
_version_ 1785117872549265408
author Nasri, Soumaya
author_facet Nasri, Soumaya
author_sort Nasri, Soumaya
collection PubMed
description 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.
format Online
Article
Text
id pubmed-10561214
institution National Center for Biotechnology Information
language English
publishDate 2023
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-105612142023-10-10 Synthesis and crystal structure of bis­(tert-butyl isocyanide-κC)[5,10,15,20-tetra­kis­(4-chloro­phen­yl)porphyrinato-κ(4) N]iron(II) Nasri, Soumaya Acta Crystallogr E Crystallogr Commun Research Communications 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. International Union of Crystallography 2023-09-26 /pmc/articles/PMC10561214/ /pubmed/37817953 http://dx.doi.org/10.1107/S2056989023008083 Text en © Soumaya Nasri 2023 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Nasri, Soumaya
Synthesis and crystal structure of bis­(tert-butyl isocyanide-κC)[5,10,15,20-tetra­kis­(4-chloro­phen­yl)porphyrinato-κ(4) N]iron(II)
title Synthesis and crystal structure of bis­(tert-butyl isocyanide-κC)[5,10,15,20-tetra­kis­(4-chloro­phen­yl)porphyrinato-κ(4) N]iron(II)
title_full Synthesis and crystal structure of bis­(tert-butyl isocyanide-κC)[5,10,15,20-tetra­kis­(4-chloro­phen­yl)porphyrinato-κ(4) N]iron(II)
title_fullStr Synthesis and crystal structure of bis­(tert-butyl isocyanide-κC)[5,10,15,20-tetra­kis­(4-chloro­phen­yl)porphyrinato-κ(4) N]iron(II)
title_full_unstemmed Synthesis and crystal structure of bis­(tert-butyl isocyanide-κC)[5,10,15,20-tetra­kis­(4-chloro­phen­yl)porphyrinato-κ(4) N]iron(II)
title_short Synthesis and crystal structure of bis­(tert-butyl isocyanide-κC)[5,10,15,20-tetra­kis­(4-chloro­phen­yl)porphyrinato-κ(4) N]iron(II)
title_sort synthesis and crystal structure of bis­(tert-butyl isocyanide-κc)[5,10,15,20-tetra­kis­(4-chloro­phen­yl)porphyrinato-κ(4) n]iron(ii)
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10561214/
https://www.ncbi.nlm.nih.gov/pubmed/37817953
http://dx.doi.org/10.1107/S2056989023008083
work_keys_str_mv AT nasrisoumaya synthesisandcrystalstructureofbistertbutylisocyanidekc5101520tetrakis4chlorophenylporphyrinatok4nironii