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Crystal structure of bis(2-methyl-1H-imidazole-κN (3))(meso-tetra-p-tolylporphyrinato-κ(4) N)iron(III) perchlorate tetrahydrofuran sesquisolvate
In the title compound, [Fe(C(48)H(36)N(4))(C(4)H(6)N(2))(2)]ClO(4)·1.5C(4)H(8)O, the iron(III) metal is coordinated in a distorted octahedral geometry by four pyrrole N atoms of the porphyrin ligand in the equatorial plane and two N atoms of 2-methylimidazole ligands in the axial sites. The comple...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4971853/ https://www.ncbi.nlm.nih.gov/pubmed/27536394 http://dx.doi.org/10.1107/S2056989016010562 |
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author | Sun, Wenyan Li, Jianfeng |
author_facet | Sun, Wenyan Li, Jianfeng |
author_sort | Sun, Wenyan |
collection | PubMed |
description | In the title compound, [Fe(C(48)H(36)N(4))(C(4)H(6)N(2))(2)]ClO(4)·1.5C(4)H(8)O, the iron(III) metal is coordinated in a distorted octahedral geometry by four pyrrole N atoms of the porphyrin ligand in the equatorial plane and two N atoms of 2-methylimidazole ligands in the axial sites. The complex has a highly ruffled porphyrin core with mean absolute core-atom displacements C (a), C (b), C (m) and C (av) of 0.25 (5), 0.17 (12), 0.432 (16) and 0.25 (13) Å, respectively. One of the four phenyl groups of the porphyrin is disordered over two sets of sites with refined occupancy ratio of 0.718 (7):0.282 (7). The mean Fe—N(p) (N(p) is a porphyrin N atom) bond length [1.975 (9) Å] indicates the low-spin state of the iron atom. The two 2-methylimidazole ligands are nearly perpendicular and form a dihedral angle of 86.93 (10)°. The dihedral angles between the 2-methylimidazole ligands and the closest Fe—N(p) vector are 38.04 (9) and 35.00 (7)°. In the crystal, the complex cations interact with the perchlorate anions through N—H⋯O hydrogen bonds, forming chains running parallel to [110]. |
format | Online Article Text |
id | pubmed-4971853 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-49718532016-08-17 Crystal structure of bis(2-methyl-1H-imidazole-κN (3))(meso-tetra-p-tolylporphyrinato-κ(4) N)iron(III) perchlorate tetrahydrofuran sesquisolvate Sun, Wenyan Li, Jianfeng Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, [Fe(C(48)H(36)N(4))(C(4)H(6)N(2))(2)]ClO(4)·1.5C(4)H(8)O, the iron(III) metal is coordinated in a distorted octahedral geometry by four pyrrole N atoms of the porphyrin ligand in the equatorial plane and two N atoms of 2-methylimidazole ligands in the axial sites. The complex has a highly ruffled porphyrin core with mean absolute core-atom displacements C (a), C (b), C (m) and C (av) of 0.25 (5), 0.17 (12), 0.432 (16) and 0.25 (13) Å, respectively. One of the four phenyl groups of the porphyrin is disordered over two sets of sites with refined occupancy ratio of 0.718 (7):0.282 (7). The mean Fe—N(p) (N(p) is a porphyrin N atom) bond length [1.975 (9) Å] indicates the low-spin state of the iron atom. The two 2-methylimidazole ligands are nearly perpendicular and form a dihedral angle of 86.93 (10)°. The dihedral angles between the 2-methylimidazole ligands and the closest Fe—N(p) vector are 38.04 (9) and 35.00 (7)°. In the crystal, the complex cations interact with the perchlorate anions through N—H⋯O hydrogen bonds, forming chains running parallel to [110]. International Union of Crystallography 2016-07-12 /pmc/articles/PMC4971853/ /pubmed/27536394 http://dx.doi.org/10.1107/S2056989016010562 Text en © Sun and Li 2016 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Research Communications Sun, Wenyan Li, Jianfeng Crystal structure of bis(2-methyl-1H-imidazole-κN (3))(meso-tetra-p-tolylporphyrinato-κ(4) N)iron(III) perchlorate tetrahydrofuran sesquisolvate |
title | Crystal structure of bis(2-methyl-1H-imidazole-κN
(3))(meso-tetra-p-tolylporphyrinato-κ(4)
N)iron(III) perchlorate tetrahydrofuran sesquisolvate |
title_full | Crystal structure of bis(2-methyl-1H-imidazole-κN
(3))(meso-tetra-p-tolylporphyrinato-κ(4)
N)iron(III) perchlorate tetrahydrofuran sesquisolvate |
title_fullStr | Crystal structure of bis(2-methyl-1H-imidazole-κN
(3))(meso-tetra-p-tolylporphyrinato-κ(4)
N)iron(III) perchlorate tetrahydrofuran sesquisolvate |
title_full_unstemmed | Crystal structure of bis(2-methyl-1H-imidazole-κN
(3))(meso-tetra-p-tolylporphyrinato-κ(4)
N)iron(III) perchlorate tetrahydrofuran sesquisolvate |
title_short | Crystal structure of bis(2-methyl-1H-imidazole-κN
(3))(meso-tetra-p-tolylporphyrinato-κ(4)
N)iron(III) perchlorate tetrahydrofuran sesquisolvate |
title_sort | crystal structure of bis(2-methyl-1h-imidazole-κn
(3))(meso-tetra-p-tolylporphyrinato-κ(4)
n)iron(iii) perchlorate tetrahydrofuran sesquisolvate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4971853/ https://www.ncbi.nlm.nih.gov/pubmed/27536394 http://dx.doi.org/10.1107/S2056989016010562 |
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