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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...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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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 |
format | Online Article Text |
id | pubmed-3238830 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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