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Bis(1-methylimidazole)[meso-α,α,α,α-tetrakis(o-nicotinamidophenyl)porphinato]iron(II)–1-methylimidazole–tetrahydrofuran (1/1/1.5)
In the title compound, [Fe(II)(C(68)H(44)N(12)O(4))(C(4)H(6)N(2))(2)]·C(4)H(6)N(2)·1.5C(4)H(8)O, the central Fe(II) ion is coordinated by four pyrrole N atoms of the porphyrin core and two N atoms of the 1-methylimidazole ligands in the axial sites. One 1-methylimidazole and one and a half tetrah...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2021
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462339/ https://www.ncbi.nlm.nih.gov/pubmed/36338266 http://dx.doi.org/10.1107/S2414314621005319 |
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author | Fan, Yingying Li, Jianfeng |
author_facet | Fan, Yingying Li, Jianfeng |
author_sort | Fan, Yingying |
collection | PubMed |
description | In the title compound, [Fe(II)(C(68)H(44)N(12)O(4))(C(4)H(6)N(2))(2)]·C(4)H(6)N(2)·1.5C(4)H(8)O, the central Fe(II) ion is coordinated by four pyrrole N atoms of the porphyrin core and two N atoms of the 1-methylimidazole ligands in the axial sites. One 1-methylimidazole and one and a half tetrahydrofuran solvent molecules are also present in the asymmetric unit. The complex exhibits a near planar porphyrin core conformation, in which the iron centre is slightly displaced towards the hindered porphyrin side (0.01 Å). The average Fe—N(p) (N(p) refers to the pyrrole nitrogen atoms in the porphyrin) bond length is 1.990 (9) Å, and the axial Fe—N(Im) (N(Im) refers to the imidazole nitrogen atoms) bond lengths are 1.993 (3) and 2.004 (3) Å. The dihedral angle between the two coordinated 1-methylimidazole planes is 56.6 (2)°. The dihedral angles between the 1-methylimidazole planes and the planes of the closest Fe—N(p) vector are 16.8 (2) and 39.8 (2)°. N—H⋯N and N—H⋯O interactions are observed in the crystal structure. [Image: see text] |
format | Online Article Text |
id | pubmed-9462339 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-94623392022-11-04 Bis(1-methylimidazole)[meso-α,α,α,α-tetrakis(o-nicotinamidophenyl)porphinato]iron(II)–1-methylimidazole–tetrahydrofuran (1/1/1.5) Fan, Yingying Li, Jianfeng IUCrdata Data Reports In the title compound, [Fe(II)(C(68)H(44)N(12)O(4))(C(4)H(6)N(2))(2)]·C(4)H(6)N(2)·1.5C(4)H(8)O, the central Fe(II) ion is coordinated by four pyrrole N atoms of the porphyrin core and two N atoms of the 1-methylimidazole ligands in the axial sites. One 1-methylimidazole and one and a half tetrahydrofuran solvent molecules are also present in the asymmetric unit. The complex exhibits a near planar porphyrin core conformation, in which the iron centre is slightly displaced towards the hindered porphyrin side (0.01 Å). The average Fe—N(p) (N(p) refers to the pyrrole nitrogen atoms in the porphyrin) bond length is 1.990 (9) Å, and the axial Fe—N(Im) (N(Im) refers to the imidazole nitrogen atoms) bond lengths are 1.993 (3) and 2.004 (3) Å. The dihedral angle between the two coordinated 1-methylimidazole planes is 56.6 (2)°. The dihedral angles between the 1-methylimidazole planes and the planes of the closest Fe—N(p) vector are 16.8 (2) and 39.8 (2)°. N—H⋯N and N—H⋯O interactions are observed in the crystal structure. [Image: see text] International Union of Crystallography 2021-05-25 /pmc/articles/PMC9462339/ /pubmed/36338266 http://dx.doi.org/10.1107/S2414314621005319 Text en © Fan and Li 2021 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 | Data Reports Fan, Yingying Li, Jianfeng Bis(1-methylimidazole)[meso-α,α,α,α-tetrakis(o-nicotinamidophenyl)porphinato]iron(II)–1-methylimidazole–tetrahydrofuran (1/1/1.5) |
title | Bis(1-methylimidazole)[meso-α,α,α,α-tetrakis(o-nicotinamidophenyl)porphinato]iron(II)–1-methylimidazole–tetrahydrofuran (1/1/1.5) |
title_full | Bis(1-methylimidazole)[meso-α,α,α,α-tetrakis(o-nicotinamidophenyl)porphinato]iron(II)–1-methylimidazole–tetrahydrofuran (1/1/1.5) |
title_fullStr | Bis(1-methylimidazole)[meso-α,α,α,α-tetrakis(o-nicotinamidophenyl)porphinato]iron(II)–1-methylimidazole–tetrahydrofuran (1/1/1.5) |
title_full_unstemmed | Bis(1-methylimidazole)[meso-α,α,α,α-tetrakis(o-nicotinamidophenyl)porphinato]iron(II)–1-methylimidazole–tetrahydrofuran (1/1/1.5) |
title_short | Bis(1-methylimidazole)[meso-α,α,α,α-tetrakis(o-nicotinamidophenyl)porphinato]iron(II)–1-methylimidazole–tetrahydrofuran (1/1/1.5) |
title_sort | bis(1-methylimidazole)[meso-α,α,α,α-tetrakis(o-nicotinamidophenyl)porphinato]iron(ii)–1-methylimidazole–tetrahydrofuran (1/1/1.5) |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462339/ https://www.ncbi.nlm.nih.gov/pubmed/36338266 http://dx.doi.org/10.1107/S2414314621005319 |
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