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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...

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Autores principales: Leonarska, Agnieszka, Zubko, Maciej, Kuś, Piotr, Kusz, Joachim, Ratuszna, Alicja
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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.
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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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