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5,10,15,20-Tetra­kis(1-methyl­pyridinium-4-yl)porphyrin tetra­iodide tetra­hydrate

The asymmetric unit of the title compound, C(44)H(38)N(8) (2+)·4I(−)·4H(2)O, comprises two halves of non-equivalent cations of 5,10,15,20-tetra­kis­(1-methyl­pyridinium)porphyrin (with the full mol­ecule of each completed by the application of inversion symmetry), four charge balancing iodide anions...

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Autores principales: Lourenço, Leandro M. O., Fernandes, José A., Neves, Maria G. P. M. S., Cavaleiro, José A. S., Tomé, João P. C., Almeida Paz, Filipe A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3238830/
https://www.ncbi.nlm.nih.gov/pubmed/22199683
http://dx.doi.org/10.1107/S1600536811043844
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author Lourenço, Leandro M. O.
Fernandes, José A.
Neves, Maria G. P. M. S.
Cavaleiro, José A. S.
Tomé, João P. C.
Almeida Paz, Filipe A.
author_facet Lourenço, Leandro M. O.
Fernandes, José A.
Neves, Maria G. P. M. S.
Cavaleiro, José A. S.
Tomé, João P. C.
Almeida Paz, Filipe A.
author_sort Lourenço, Leandro M. O.
collection PubMed
description The asymmetric unit of the title compound, C(44)H(38)N(8) (2+)·4I(−)·4H(2)O, comprises two halves of non-equivalent cations of 5,10,15,20-tetra­kis­(1-methyl­pyridinium)porphyrin (with the full mol­ecule of each completed by the application of inversion symmetry), four charge balancing iodide anions and four water mol­ecules of crystallization (two water mol­ecules are fully occupied and four mol­ecules have a site occupancy of 50%). The porphyrin cations are arranged into supramolecular columns parallel to the b axis, mediated by π–π [centroid–centroid distance = 3.762 (4) Å] and C—H⋯π supra­molecular inter­actions [C⋯centroid distance = 3.522 (7) Å, C—H⋯centroid = 128°], leading to the formation of columns parallel to the b axis. The close packing leads to the presence of a one-dimensional channel filled with partially occupied water mol­ecules engaged in O—H⋯O and O—H⋯I hydrogen bonds
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spelling pubmed-32388302011-12-23 5,10,15,20-Tetra­kis(1-methyl­pyridinium-4-yl)porphyrin tetra­iodide tetra­hydrate Lourenço, Leandro M. O. Fernandes, José A. Neves, Maria G. P. M. S. Cavaleiro, José A. S. Tomé, João P. C. Almeida Paz, Filipe A. Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(44)H(38)N(8) (2+)·4I(−)·4H(2)O, comprises two halves of non-equivalent cations of 5,10,15,20-tetra­kis­(1-methyl­pyridinium)porphyrin (with the full mol­ecule of each completed by the application of inversion symmetry), four charge balancing iodide anions and four water mol­ecules of crystallization (two water mol­ecules are fully occupied and four mol­ecules have a site occupancy of 50%). The porphyrin cations are arranged into supramolecular columns parallel to the b axis, mediated by π–π [centroid–centroid distance = 3.762 (4) Å] and C—H⋯π supra­molecular inter­actions [C⋯centroid distance = 3.522 (7) Å, C—H⋯centroid = 128°], leading to the formation of columns parallel to the b axis. The close packing leads to the presence of a one-dimensional channel filled with partially occupied water mol­ecules engaged in O—H⋯O and O—H⋯I hydrogen bonds International Union of Crystallography 2011-11-02 /pmc/articles/PMC3238830/ /pubmed/22199683 http://dx.doi.org/10.1107/S1600536811043844 Text en © Lourenço et al. 2011 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 Organic Papers
Lourenço, Leandro M. O.
Fernandes, José A.
Neves, Maria G. P. M. S.
Cavaleiro, José A. S.
Tomé, João P. C.
Almeida Paz, Filipe A.
5,10,15,20-Tetra­kis(1-methyl­pyridinium-4-yl)porphyrin tetra­iodide tetra­hydrate
title 5,10,15,20-Tetra­kis(1-methyl­pyridinium-4-yl)porphyrin tetra­iodide tetra­hydrate
title_full 5,10,15,20-Tetra­kis(1-methyl­pyridinium-4-yl)porphyrin tetra­iodide tetra­hydrate
title_fullStr 5,10,15,20-Tetra­kis(1-methyl­pyridinium-4-yl)porphyrin tetra­iodide tetra­hydrate
title_full_unstemmed 5,10,15,20-Tetra­kis(1-methyl­pyridinium-4-yl)porphyrin tetra­iodide tetra­hydrate
title_short 5,10,15,20-Tetra­kis(1-methyl­pyridinium-4-yl)porphyrin tetra­iodide tetra­hydrate
title_sort 5,10,15,20-tetra­kis(1-methyl­pyridinium-4-yl)porphyrin tetra­iodide tetra­hydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3238830/
https://www.ncbi.nlm.nih.gov/pubmed/22199683
http://dx.doi.org/10.1107/S1600536811043844
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