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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...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2023
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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 |
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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 |
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