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
Citation:
Kingsbury, C. J., Flanagan, K.J., Kielmann, M., Twamley, B., Senge, M.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, Acta Crystallographica Section E: Crystallographic Communications, 2020, 76(Pt 2): 214–220Download Item:
Abstract:
The crystal structures of the title compounds, two solvates (CHCl3 and THF) of a symmetric and highly substituted porphyrin, C44H2Br8F20N4 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·CHCl3 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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Grant Number
Science Foundation Ireland
IvP 13/IA/1894
Author's Homepage:
http://people.tcd.ie/sengem
Author: Senge, Mathias
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Journal ArticleCollections
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Acta Crystallographica Section E: Crystallographic Communications;76;
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Crystal Structures, Symmetrical porphyrins, Non-planar porphyrins, Halogenated porphyrins, Solvent interactionsDOI:
http://dx.doi.org/10.1107/S2056989020000432Metadata
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