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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2018
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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. |
format | Online Article Text |
id | pubmed-5778485 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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