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Synthesis, FT–IR characterization and crystal structure of aqua­(5,10,15,20-tetra­phenyl­porphyrinato-κ(4) N)manganese(III) tri­fluoro­methane­sulfonate

In the title salt, [Mn(C(44)H(28)N(4))(H(2)O)](CF(3)SO(3)) or [Mn(III)(TPP)(H(2)O)](CF(3)SO(3)) (where TPP is the dianion of 5,10,15,20-tetra­phenyl­porphyrin), the Mn(III) cation is chelated by the four pyrrole N atoms of the porphyrinate anion and additionally coordinated by an aqua ligand in an a...

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Autores principales: Harhouri, Wafa, Mchiri, Chadlia, Najmudin, Shabir, Bonifácio, Cecilia, Nasri, Habib
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4908522/
https://www.ncbi.nlm.nih.gov/pubmed/27308027
http://dx.doi.org/10.1107/S2056989016006630
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author Harhouri, Wafa
Mchiri, Chadlia
Najmudin, Shabir
Bonifácio, Cecilia
Nasri, Habib
author_facet Harhouri, Wafa
Mchiri, Chadlia
Najmudin, Shabir
Bonifácio, Cecilia
Nasri, Habib
author_sort Harhouri, Wafa
collection PubMed
description In the title salt, [Mn(C(44)H(28)N(4))(H(2)O)](CF(3)SO(3)) or [Mn(III)(TPP)(H(2)O)](CF(3)SO(3)) (where TPP is the dianion of 5,10,15,20-tetra­phenyl­porphyrin), the Mn(III) cation is chelated by the four pyrrole N atoms of the porphyrinate anion and additionally coordinated by an aqua ligand in an apical site, completing the distorted square-pyramidal coordination environment. The average Mn—N(pyrrole) bond length is 1.998 (9) Å and the Mn—O(aqua) bond length is 2.1057 (15) Å. The central Mn(III) ion is displaced by 0.1575 (5) Å from the N(4)C(20) mean plane of the porphyrinate anion towards the apical aqua ligand. The porphyrinate macrocycle exhibits a moderate ruffling and strong saddle deformations. In the crystal lattice, the [Mn(III)(TPP)(H(2)O)](+) cation and the tri­fluoro­methane­sulfonate counter-ions are arranged in alternating planes packed along [001]. The components are linked together through O—H⋯O hydrogen bonds and much weaker C—H⋯O and C—H⋯F inter­actions. The crystal packing is further stabilized by weak C—H⋯π inter­actions involving the pyrrole and phenyl rings of the porphyrin moieties.
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spelling pubmed-49085222016-06-15 Synthesis, FT–IR characterization and crystal structure of aqua­(5,10,15,20-tetra­phenyl­porphyrinato-κ(4) N)manganese(III) tri­fluoro­methane­sulfonate Harhouri, Wafa Mchiri, Chadlia Najmudin, Shabir Bonifácio, Cecilia Nasri, Habib Acta Crystallogr E Crystallogr Commun Research Communications In the title salt, [Mn(C(44)H(28)N(4))(H(2)O)](CF(3)SO(3)) or [Mn(III)(TPP)(H(2)O)](CF(3)SO(3)) (where TPP is the dianion of 5,10,15,20-tetra­phenyl­porphyrin), the Mn(III) cation is chelated by the four pyrrole N atoms of the porphyrinate anion and additionally coordinated by an aqua ligand in an apical site, completing the distorted square-pyramidal coordination environment. The average Mn—N(pyrrole) bond length is 1.998 (9) Å and the Mn—O(aqua) bond length is 2.1057 (15) Å. The central Mn(III) ion is displaced by 0.1575 (5) Å from the N(4)C(20) mean plane of the porphyrinate anion towards the apical aqua ligand. The porphyrinate macrocycle exhibits a moderate ruffling and strong saddle deformations. In the crystal lattice, the [Mn(III)(TPP)(H(2)O)](+) cation and the tri­fluoro­methane­sulfonate counter-ions are arranged in alternating planes packed along [001]. The components are linked together through O—H⋯O hydrogen bonds and much weaker C—H⋯O and C—H⋯F inter­actions. The crystal packing is further stabilized by weak C—H⋯π inter­actions involving the pyrrole and phenyl rings of the porphyrin moieties. International Union of Crystallography 2016-04-22 /pmc/articles/PMC4908522/ /pubmed/27308027 http://dx.doi.org/10.1107/S2056989016006630 Text en © Harhouri et al. 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
Harhouri, Wafa
Mchiri, Chadlia
Najmudin, Shabir
Bonifácio, Cecilia
Nasri, Habib
Synthesis, FT–IR characterization and crystal structure of aqua­(5,10,15,20-tetra­phenyl­porphyrinato-κ(4) N)manganese(III) tri­fluoro­methane­sulfonate
title Synthesis, FT–IR characterization and crystal structure of aqua­(5,10,15,20-tetra­phenyl­porphyrinato-κ(4) N)manganese(III) tri­fluoro­methane­sulfonate
title_full Synthesis, FT–IR characterization and crystal structure of aqua­(5,10,15,20-tetra­phenyl­porphyrinato-κ(4) N)manganese(III) tri­fluoro­methane­sulfonate
title_fullStr Synthesis, FT–IR characterization and crystal structure of aqua­(5,10,15,20-tetra­phenyl­porphyrinato-κ(4) N)manganese(III) tri­fluoro­methane­sulfonate
title_full_unstemmed Synthesis, FT–IR characterization and crystal structure of aqua­(5,10,15,20-tetra­phenyl­porphyrinato-κ(4) N)manganese(III) tri­fluoro­methane­sulfonate
title_short Synthesis, FT–IR characterization and crystal structure of aqua­(5,10,15,20-tetra­phenyl­porphyrinato-κ(4) N)manganese(III) tri­fluoro­methane­sulfonate
title_sort synthesis, ft–ir characterization and crystal structure of aqua­(5,10,15,20-tetra­phenyl­porphyrinato-κ(4) n)manganese(iii) tri­fluoro­methane­sulfonate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4908522/
https://www.ncbi.nlm.nih.gov/pubmed/27308027
http://dx.doi.org/10.1107/S2056989016006630
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