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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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. |
format | Online Article Text |
id | pubmed-4350761 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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