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Crystal structure of 5,15-bis­(4-methyl­phen­yl)-10,20-bis­(4-nitro­phen­yl)porphyrin nitro­benzene disolvate

The whole mol­ecule of the title porphyrin, C(46)H(32)N(6)O(4)·2C(6)H(5)NO(2), which crystallized as a nitro­benzene disolvate, is generated by inversion symmetry. The porphyrin macrocycle is almost planar, the maximum deviation from the mean plane of the non-hydrogen atoms is 0.097 (2) Å. The aryl...

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Autores principales: Baptayev, Bakhytzhan, Adilov, Salimgerey
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5778485/
https://www.ncbi.nlm.nih.gov/pubmed/29416891
http://dx.doi.org/10.1107/S2056989017017868
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author Baptayev, Bakhytzhan
Adilov, Salimgerey
author_facet Baptayev, Bakhytzhan
Adilov, Salimgerey
author_sort Baptayev, Bakhytzhan
collection PubMed
description The whole mol­ecule of the title porphyrin, C(46)H(32)N(6)O(4)·2C(6)H(5)NO(2), which crystallized as a nitro­benzene disolvate, is generated by inversion symmetry. The porphyrin macrocycle is almost planar, the maximum deviation from the mean plane of the non-hydrogen atoms is 0.097 (2) Å. The aryl rings at the meso positions are inclined to this mean plane by 74.84 (6)° for the nitro­phenyl rings and 73.37 (7)° for the tolyl rings. In the crystal, the porphyrin mol­ecules are linked by C—H⋯O hydrogen bonds, forming chains along [100]. The solvent mol­ecules are also linked by C—H⋯O hydrogen bonds, forming chains along [100]. Inter­digitation of the p-tolyl groups along the c axis creates rectangular channels in which the solvent mol­ecules are located.
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spelling pubmed-57784852018-02-07 Crystal structure of 5,15-bis­(4-methyl­phen­yl)-10,20-bis­(4-nitro­phen­yl)porphyrin nitro­benzene disolvate Baptayev, Bakhytzhan Adilov, Salimgerey Acta Crystallogr E Crystallogr Commun Research Communications The whole mol­ecule of the title porphyrin, C(46)H(32)N(6)O(4)·2C(6)H(5)NO(2), which crystallized as a nitro­benzene disolvate, is generated by inversion symmetry. The porphyrin macrocycle is almost planar, the maximum deviation from the mean plane of the non-hydrogen atoms is 0.097 (2) Å. The aryl rings at the meso positions are inclined to this mean plane by 74.84 (6)° for the nitro­phenyl rings and 73.37 (7)° for the tolyl rings. In the crystal, the porphyrin mol­ecules are linked by C—H⋯O hydrogen bonds, forming chains along [100]. The solvent mol­ecules are also linked by C—H⋯O hydrogen bonds, forming chains along [100]. Inter­digitation of the p-tolyl groups along the c axis creates rectangular channels in which the solvent mol­ecules are located. International Union of Crystallography 2018-01-01 /pmc/articles/PMC5778485/ /pubmed/29416891 http://dx.doi.org/10.1107/S2056989017017868 Text en © Baptayev and Adilov 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Baptayev, Bakhytzhan
Adilov, Salimgerey
Crystal structure of 5,15-bis­(4-methyl­phen­yl)-10,20-bis­(4-nitro­phen­yl)porphyrin nitro­benzene disolvate
title Crystal structure of 5,15-bis­(4-methyl­phen­yl)-10,20-bis­(4-nitro­phen­yl)porphyrin nitro­benzene disolvate
title_full Crystal structure of 5,15-bis­(4-methyl­phen­yl)-10,20-bis­(4-nitro­phen­yl)porphyrin nitro­benzene disolvate
title_fullStr Crystal structure of 5,15-bis­(4-methyl­phen­yl)-10,20-bis­(4-nitro­phen­yl)porphyrin nitro­benzene disolvate
title_full_unstemmed Crystal structure of 5,15-bis­(4-methyl­phen­yl)-10,20-bis­(4-nitro­phen­yl)porphyrin nitro­benzene disolvate
title_short Crystal structure of 5,15-bis­(4-methyl­phen­yl)-10,20-bis­(4-nitro­phen­yl)porphyrin nitro­benzene disolvate
title_sort crystal structure of 5,15-bis­(4-methyl­phen­yl)-10,20-bis­(4-nitro­phen­yl)porphyrin nitro­benzene disolvate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5778485/
https://www.ncbi.nlm.nih.gov/pubmed/29416891
http://dx.doi.org/10.1107/S2056989017017868
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