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Diaqua[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato-κ(4) N]iron(III) trifluoromethanesulfonate–4-hydroxy-3-methoxybenzaldehyde–water (1/1/2)
In the title compound, [Fe(C(44)H(24)Cl(4)N(4))(H(2)O)(2)](SO(3)CF(3))·C(8)H(8)O(3)·2H(2)O, the Fe(III) cation is chelated by the four N atoms of the deprotonated tetrakis(4-chlorotetraphenyl)porphyrin (TClPP) and further coordinated by two water molecules in a distorted octahedral geometry....
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4158530/ https://www.ncbi.nlm.nih.gov/pubmed/25249880 http://dx.doi.org/10.1107/S1600536814015335 |
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author | Ben Haj Hassen, Leila Ezzayani, Khaireddine Rousselin, Yoann Nasri, Habib |
author_facet | Ben Haj Hassen, Leila Ezzayani, Khaireddine Rousselin, Yoann Nasri, Habib |
author_sort | Ben Haj Hassen, Leila |
collection | PubMed |
description | In the title compound, [Fe(C(44)H(24)Cl(4)N(4))(H(2)O)(2)](SO(3)CF(3))·C(8)H(8)O(3)·2H(2)O, the Fe(III) cation is chelated by the four N atoms of the deprotonated tetrakis(4-chlorotetraphenyl)porphyrin (TClPP) and further coordinated by two water molecules in a distorted octahedral geometry. In the crystal, the cations, anions, 4-hydroxy-3-methoxybenzaldehyde and water molecules of crystallization are linked by classical O—H⋯O hydrogen bonds and weak C—H⋯O and C—H⋯Cl hydrogen bonds into a three-dimensional supramolecular architecture. The crystal packing is further stabilized by weak C—H⋯π interactions involving pyrrole and benzene rings. π–π stacking between parallel benzene rings of adjacent 4-hydroxy-3-methoxybenzaldehyde molecules is also observed, the centroid–centroid distance being 3.8003 (13) Å. The three F atoms of the anion are disordered over two sets of sites, with a refined occupancy ratio 0.527 (12):0.473 (12). The O atom of one water molecule of crystallization is also disordered over two positions in an occupancy ratio of 0.68 (5):0.32 (5). |
format | Online Article Text |
id | pubmed-4158530 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-41585302014-09-23 Diaqua[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato-κ(4) N]iron(III) trifluoromethanesulfonate–4-hydroxy-3-methoxybenzaldehyde–water (1/1/2) Ben Haj Hassen, Leila Ezzayani, Khaireddine Rousselin, Yoann Nasri, Habib Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title compound, [Fe(C(44)H(24)Cl(4)N(4))(H(2)O)(2)](SO(3)CF(3))·C(8)H(8)O(3)·2H(2)O, the Fe(III) cation is chelated by the four N atoms of the deprotonated tetrakis(4-chlorotetraphenyl)porphyrin (TClPP) and further coordinated by two water molecules in a distorted octahedral geometry. In the crystal, the cations, anions, 4-hydroxy-3-methoxybenzaldehyde and water molecules of crystallization are linked by classical O—H⋯O hydrogen bonds and weak C—H⋯O and C—H⋯Cl hydrogen bonds into a three-dimensional supramolecular architecture. The crystal packing is further stabilized by weak C—H⋯π interactions involving pyrrole and benzene rings. π–π stacking between parallel benzene rings of adjacent 4-hydroxy-3-methoxybenzaldehyde molecules is also observed, the centroid–centroid distance being 3.8003 (13) Å. The three F atoms of the anion are disordered over two sets of sites, with a refined occupancy ratio 0.527 (12):0.473 (12). The O atom of one water molecule of crystallization is also disordered over two positions in an occupancy ratio of 0.68 (5):0.32 (5). International Union of Crystallography 2014-07-11 /pmc/articles/PMC4158530/ /pubmed/25249880 http://dx.doi.org/10.1107/S1600536814015335 Text en © Ben Haj Hassen et al. 2014 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 | Metal-Organic Papers Ben Haj Hassen, Leila Ezzayani, Khaireddine Rousselin, Yoann Nasri, Habib Diaqua[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato-κ(4) N]iron(III) trifluoromethanesulfonate–4-hydroxy-3-methoxybenzaldehyde–water (1/1/2) |
title | Diaqua[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato-κ(4)
N]iron(III) trifluoromethanesulfonate–4-hydroxy-3-methoxybenzaldehyde–water (1/1/2) |
title_full | Diaqua[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato-κ(4)
N]iron(III) trifluoromethanesulfonate–4-hydroxy-3-methoxybenzaldehyde–water (1/1/2) |
title_fullStr | Diaqua[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato-κ(4)
N]iron(III) trifluoromethanesulfonate–4-hydroxy-3-methoxybenzaldehyde–water (1/1/2) |
title_full_unstemmed | Diaqua[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato-κ(4)
N]iron(III) trifluoromethanesulfonate–4-hydroxy-3-methoxybenzaldehyde–water (1/1/2) |
title_short | Diaqua[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato-κ(4)
N]iron(III) trifluoromethanesulfonate–4-hydroxy-3-methoxybenzaldehyde–water (1/1/2) |
title_sort | diaqua[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato-κ(4)
n]iron(iii) trifluoromethanesulfonate–4-hydroxy-3-methoxybenzaldehyde–water (1/1/2) |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4158530/ https://www.ncbi.nlm.nih.gov/pubmed/25249880 http://dx.doi.org/10.1107/S1600536814015335 |
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