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meso-5,10,15,20-Tetrakis(4-hydroxy-3-methoxyphenyl)porphyrin propionic acid monosolvate
In the title compound, C(48)H(38)N(4)O(8)·C(3)H(6)O(2), the porphyrin molecule is centrosymmetric. The propionic acid solvent molecule is disordered over two sets of sites with equal occupancy factors. The porphyrin central core is almost planar, with an r.m.s. deviation of the fitted atoms of 0.0...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435825/ https://www.ncbi.nlm.nih.gov/pubmed/22969671 http://dx.doi.org/10.1107/S1600536812036495 |
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author | Leonarska, Agnieszka Zubko, Maciej Kuś, Piotr Kusz, Joachim Ratuszna, Alicja |
author_facet | Leonarska, Agnieszka Zubko, Maciej Kuś, Piotr Kusz, Joachim Ratuszna, Alicja |
author_sort | Leonarska, Agnieszka |
collection | PubMed |
description | In the title compound, C(48)H(38)N(4)O(8)·C(3)H(6)O(2), the porphyrin molecule is centrosymmetric. The propionic acid solvent molecule is disordered over two sets of sites with equal occupancy factors. The porphyrin central core is almost planar, with an r.m.s. deviation of the fitted atoms of 0.045 Å. The substituent benzene rings make dihedral angles of 70.37 (4) and 66.95 (4)° with respect to the porphyrin core plane. The crystal structure is stabilized by an interesting network of hydrogen bonds. Porphyrin molecules are connected by O—H⋯O hydrogen bonds creating ribbons running along the [101] direction. Weak C—H⋯O hydrogen bonds connect separate molecular ribbons in the [110] direction, creating (-111) layers. Intramolecular N—H⋯N hydrogen bonds also occur. The propionic acid molecules are connected by pairs of —H⋯O hydrogen bonds, creating dimers. |
format | Online Article Text |
id | pubmed-3435825 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-34358252012-09-11 meso-5,10,15,20-Tetrakis(4-hydroxy-3-methoxyphenyl)porphyrin propionic acid monosolvate Leonarska, Agnieszka Zubko, Maciej Kuś, Piotr Kusz, Joachim Ratuszna, Alicja Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(48)H(38)N(4)O(8)·C(3)H(6)O(2), the porphyrin molecule is centrosymmetric. The propionic acid solvent molecule is disordered over two sets of sites with equal occupancy factors. The porphyrin central core is almost planar, with an r.m.s. deviation of the fitted atoms of 0.045 Å. The substituent benzene rings make dihedral angles of 70.37 (4) and 66.95 (4)° with respect to the porphyrin core plane. The crystal structure is stabilized by an interesting network of hydrogen bonds. Porphyrin molecules are connected by O—H⋯O hydrogen bonds creating ribbons running along the [101] direction. Weak C—H⋯O hydrogen bonds connect separate molecular ribbons in the [110] direction, creating (-111) layers. Intramolecular N—H⋯N hydrogen bonds also occur. The propionic acid molecules are connected by pairs of —H⋯O hydrogen bonds, creating dimers. International Union of Crystallography 2012-08-25 /pmc/articles/PMC3435825/ /pubmed/22969671 http://dx.doi.org/10.1107/S1600536812036495 Text en © Leonarska et al. 2012 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 Leonarska, Agnieszka Zubko, Maciej Kuś, Piotr Kusz, Joachim Ratuszna, Alicja meso-5,10,15,20-Tetrakis(4-hydroxy-3-methoxyphenyl)porphyrin propionic acid monosolvate |
title |
meso-5,10,15,20-Tetrakis(4-hydroxy-3-methoxyphenyl)porphyrin propionic acid monosolvate |
title_full |
meso-5,10,15,20-Tetrakis(4-hydroxy-3-methoxyphenyl)porphyrin propionic acid monosolvate |
title_fullStr |
meso-5,10,15,20-Tetrakis(4-hydroxy-3-methoxyphenyl)porphyrin propionic acid monosolvate |
title_full_unstemmed |
meso-5,10,15,20-Tetrakis(4-hydroxy-3-methoxyphenyl)porphyrin propionic acid monosolvate |
title_short |
meso-5,10,15,20-Tetrakis(4-hydroxy-3-methoxyphenyl)porphyrin propionic acid monosolvate |
title_sort | meso-5,10,15,20-tetrakis(4-hydroxy-3-methoxyphenyl)porphyrin propionic acid monosolvate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435825/ https://www.ncbi.nlm.nih.gov/pubmed/22969671 http://dx.doi.org/10.1107/S1600536812036495 |
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