Cargando…

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....

Descripción completa

Detalles Bibliográficos
Autores principales: Ben Haj Hassen, Leila, Ezzayani, Khaireddine, Rousselin, Yoann, Nasri, Habib
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
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
_version_ 1782334068063469568
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
work_keys_str_mv AT benhajhassenleila diaqua5101520tetrakis4chlorophenylporphyrinatok4nironiiitrifluoromethanesulfonate4hydroxy3methoxybenzaldehydewater112
AT ezzayanikhaireddine diaqua5101520tetrakis4chlorophenylporphyrinatok4nironiiitrifluoromethanesulfonate4hydroxy3methoxybenzaldehydewater112
AT rousselinyoann diaqua5101520tetrakis4chlorophenylporphyrinatok4nironiiitrifluoromethanesulfonate4hydroxy3methoxybenzaldehydewater112
AT nasrihabib diaqua5101520tetrakis4chlorophenylporphyrinatok4nironiiitrifluoromethanesulfonate4hydroxy3methoxybenzaldehydewater112