• Title of article

    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

  • Author/Authors

    Kingsbury, Christopher J. School of Chemistry - Trinity Biomedical Science Institute, Ireland , Flanagan, Keith J. School of Chemistry - Trinity Biomedical Science Institute, Ireland , Kielmann, Marc School of Chemistry - Trinity Biomedical Science Institute, Ireland , Twamley, Brendan School of Chemistry - Trinity Biomedical Science Institute, Ireland , Senge, Mathias O. School of Chemistry - Trinity Biomedical Science Institute, Ireland

  • Pages
    31
  • From page
    1
  • To page
    31
  • 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).
  • Keywords
    crystal structure; symmetrical porphyrins , non-planar porphyrins , halogenated porphyrins , solvent inter­actions
  • Journal title
    Acta Crystallographica Section E: Crystallographic Communications
  • Serial Year
    2020
  • Record number

    2624456