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Crystal structure of di­aqua­[5,10,15,20-tetra­kis­(4-bromo­phen­yl)porphyrinato-κ(4) N]magnesium

The title compound, [Mg(C(44)H(24)Br(4)N(4))(H(2)O)(2)] or [Mg(TBrPP)(H(2)O)(2)], where TBrPP is the 5,10,15,20-tetra­kis­(4-bromo­phen­yl)porphyrinato ligand, was obtained unintentionally as a by-product of the reaction of the [Mg(TBrPP)] complex with an excess of di­methyl­glyoxime in di­chloro­me...

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Autores principales: Amiri, Nesrine, Nasri, Soumaya, Roisnel, Thierry, Simonneaux, Gérard, Nasri, Habib
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350761/
https://www.ncbi.nlm.nih.gov/pubmed/25844215
http://dx.doi.org/10.1107/S2056989015003722
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author Amiri, Nesrine
Nasri, Soumaya
Roisnel, Thierry
Simonneaux, Gérard
Nasri, Habib
author_facet Amiri, Nesrine
Nasri, Soumaya
Roisnel, Thierry
Simonneaux, Gérard
Nasri, Habib
author_sort Amiri, Nesrine
collection PubMed
description The title compound, [Mg(C(44)H(24)Br(4)N(4))(H(2)O)(2)] or [Mg(TBrPP)(H(2)O)(2)], where TBrPP is the 5,10,15,20-tetra­kis­(4-bromo­phen­yl)porphyrinato ligand, was obtained unintentionally as a by-product of the reaction of the [Mg(TBrPP)] complex with an excess of di­methyl­glyoxime in di­chloro­methane. The entire mol­ecule exhibits point group symmetry 4/m. In the asymmetric unit, except for two C atoms of the phenyl ring, all other atoms lie on special positions. The Mg(II) atom is situated at a site with symmetry 4/m, while the N and the C atoms of the porphyrin macrocycle, as well as two C atoms of the phenyl ring and the Br atom lie in the mirror plane containing the porphyrin core. The H atoms of the axially bonded water mol­ecule are incompatible with the fourfold rotation axis and are disordered over two sites. In the crystal, mol­ecules are packed in rows along [001]. Weak inter­molecular C—H⋯π and C—H⋯Br inter­actions, as well as O—H⋯Br hydrogen bonds, stabilize the crystal packing.
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spelling pubmed-43507612015-04-03 Crystal structure of di­aqua­[5,10,15,20-tetra­kis­(4-bromo­phen­yl)porphyrinato-κ(4) N]magnesium Amiri, Nesrine Nasri, Soumaya Roisnel, Thierry Simonneaux, Gérard Nasri, Habib Acta Crystallogr E Crystallogr Commun Data Reports The title compound, [Mg(C(44)H(24)Br(4)N(4))(H(2)O)(2)] or [Mg(TBrPP)(H(2)O)(2)], where TBrPP is the 5,10,15,20-tetra­kis­(4-bromo­phen­yl)porphyrinato ligand, was obtained unintentionally as a by-product of the reaction of the [Mg(TBrPP)] complex with an excess of di­methyl­glyoxime in di­chloro­methane. The entire mol­ecule exhibits point group symmetry 4/m. In the asymmetric unit, except for two C atoms of the phenyl ring, all other atoms lie on special positions. The Mg(II) atom is situated at a site with symmetry 4/m, while the N and the C atoms of the porphyrin macrocycle, as well as two C atoms of the phenyl ring and the Br atom lie in the mirror plane containing the porphyrin core. The H atoms of the axially bonded water mol­ecule are incompatible with the fourfold rotation axis and are disordered over two sites. In the crystal, mol­ecules are packed in rows along [001]. Weak inter­molecular C—H⋯π and C—H⋯Br inter­actions, as well as O—H⋯Br hydrogen bonds, stabilize the crystal packing. International Union of Crystallography 2015-02-28 /pmc/articles/PMC4350761/ /pubmed/25844215 http://dx.doi.org/10.1107/S2056989015003722 Text en © Amiri et al. 2015 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 Data Reports
Amiri, Nesrine
Nasri, Soumaya
Roisnel, Thierry
Simonneaux, Gérard
Nasri, Habib
Crystal structure of di­aqua­[5,10,15,20-tetra­kis­(4-bromo­phen­yl)porphyrinato-κ(4) N]magnesium
title Crystal structure of di­aqua­[5,10,15,20-tetra­kis­(4-bromo­phen­yl)porphyrinato-κ(4) N]magnesium
title_full Crystal structure of di­aqua­[5,10,15,20-tetra­kis­(4-bromo­phen­yl)porphyrinato-κ(4) N]magnesium
title_fullStr Crystal structure of di­aqua­[5,10,15,20-tetra­kis­(4-bromo­phen­yl)porphyrinato-κ(4) N]magnesium
title_full_unstemmed Crystal structure of di­aqua­[5,10,15,20-tetra­kis­(4-bromo­phen­yl)porphyrinato-κ(4) N]magnesium
title_short Crystal structure of di­aqua­[5,10,15,20-tetra­kis­(4-bromo­phen­yl)porphyrinato-κ(4) N]magnesium
title_sort crystal structure of di­aqua­[5,10,15,20-tetra­kis­(4-bromo­phen­yl)porphyrinato-κ(4) n]magnesium
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350761/
https://www.ncbi.nlm.nih.gov/pubmed/25844215
http://dx.doi.org/10.1107/S2056989015003722
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