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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...

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Autores principales: Kingsbury, Christopher J., Flanagan, Keith J., Kielmann, Marc, Twamley, Brendan, Senge, Mathias O.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
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).
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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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