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Crystal structures of 2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin as the chloroform monosolvate and tetrahydrofuran monosolvate
The crystal structures of the title compounds, two solvates (CHCl(3) and THF) of a symmetric and highly substituted porphyrin, C(44)H(2)Br(8)F(20)N(4) or OBrTPFPP, are described. These structures each feature a non-planar porphyrin ring, exhibiting a similar conformation of the strained ring indepen...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7001836/ https://www.ncbi.nlm.nih.gov/pubmed/32071749 http://dx.doi.org/10.1107/S2056989020000432 |
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author | Kingsbury, Christopher J. Flanagan, Keith J. Kielmann, Marc Twamley, Brendan Senge, Mathias O. |
author_facet | Kingsbury, Christopher J. Flanagan, Keith J. Kielmann, Marc Twamley, Brendan Senge, Mathias O. |
author_sort | Kingsbury, Christopher J. |
collection | PubMed |
description | The crystal structures of the title compounds, two solvates (CHCl(3) and THF) of a symmetric and highly substituted porphyrin, C(44)H(2)Br(8)F(20)N(4) or OBrTPFPP, are described. These structures each feature a non-planar porphyrin ring, exhibiting a similar conformation of the strained ring independent of solvent identity. These distorted porphyrins are able to form hydrogen bonds and sub-van der Waals halogen interactions with enclathrated solvent; supramolecular interactions of proximal macrocycles are additionally affected by solvent choice. The crystal studied for compound 1·CHCl(3) was refined as an inversion twin. One pentafluorophenyl group was modelled as disordered over two sites [occupancy ratio = 0.462 (7):0.538 (7)]. The chloroform solvate was also modelled as disordered over two orientations [occupancy ratio = 0.882 (7): 0.118 (7). |
format | Online Article Text |
id | pubmed-7001836 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-70018362020-02-18 Crystal structures of 2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin as the chloroform monosolvate and tetrahydrofuran monosolvate Kingsbury, Christopher J. Flanagan, Keith J. Kielmann, Marc Twamley, Brendan Senge, Mathias O. Acta Crystallogr E Crystallogr Commun Research Communications The crystal structures of the title compounds, two solvates (CHCl(3) and THF) of a symmetric and highly substituted porphyrin, C(44)H(2)Br(8)F(20)N(4) or OBrTPFPP, are described. These structures each feature a non-planar porphyrin ring, exhibiting a similar conformation of the strained ring independent of solvent identity. These distorted porphyrins are able to form hydrogen bonds and sub-van der Waals halogen interactions with enclathrated solvent; supramolecular interactions of proximal macrocycles are additionally affected by solvent choice. The crystal studied for compound 1·CHCl(3) was refined as an inversion twin. One pentafluorophenyl group was modelled as disordered over two sites [occupancy ratio = 0.462 (7):0.538 (7)]. The chloroform solvate was also modelled as disordered over two orientations [occupancy ratio = 0.882 (7): 0.118 (7). International Union of Crystallography 2020-01-17 /pmc/articles/PMC7001836/ /pubmed/32071749 http://dx.doi.org/10.1107/S2056989020000432 Text en © Kingsbury et al. 2020 http://creativecommons.org/licenses/by/4.0/ 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/4.0/ |
spellingShingle | Research Communications Kingsbury, Christopher J. Flanagan, Keith J. Kielmann, Marc Twamley, Brendan Senge, Mathias O. Crystal structures of 2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin as the chloroform monosolvate and tetrahydrofuran monosolvate |
title | Crystal structures of 2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin as the chloroform monosolvate and tetrahydrofuran monosolvate |
title_full | Crystal structures of 2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin as the chloroform monosolvate and tetrahydrofuran monosolvate |
title_fullStr | Crystal structures of 2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin as the chloroform monosolvate and tetrahydrofuran monosolvate |
title_full_unstemmed | Crystal structures of 2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin as the chloroform monosolvate and tetrahydrofuran monosolvate |
title_short | Crystal structures of 2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin as the chloroform monosolvate and tetrahydrofuran monosolvate |
title_sort | crystal structures of 2,3,7,8,12,13,17,18-octabromo-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin as the chloroform monosolvate and tetrahydrofuran monosolvate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7001836/ https://www.ncbi.nlm.nih.gov/pubmed/32071749 http://dx.doi.org/10.1107/S2056989020000432 |
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