• Title of article

    Crystal structure of a methanol solvate of a macrocycle bearing two flexible side-arms

  • Author/Authors

    Amrhein, Felix Technische Universität Bergakademie Freiberg, Germany , Schwarzer, Anke Technische Universität Bergakademie Freiberg, Germany , Mazik, Monika Technische Universität Bergakademie Freiberg, Germany

  • Pages
    11
  • From page
    1
  • To page
    11
  • Abstract
    Di-tert-butyl N,N′-{[13,15,28,30,31,33-hexa­ethyl-3,10,18,25,32,34-hexa­aza­penta­cyclo­[25.3.1.15,8.112,16.120,23]tetra­triaconta-1(31),3,5,7,9,12(33),13,15,18,20,22,24,27,29-tetra­deca­ene-14,29-di­yl]bis­(methyl­ene)}dicarbamate methanol disolvate, C52H72N8O4·2CH3OH, was found to crystallize in the space group P21/c with one half of the macrocycle (host) and one mol­ecule of solvent (guest) in the asymmetric unit of the cell, i.e. the host mol­ecule is located on a crystallographic symmetry center. Within the 1:2 host–guest complex, the solvent mol­ecules are accommodated in the host cavity and held in their positions by O—H⋯N and N—H⋯O bonds, thus forming ring synthons of graph set R22(7). The connection of the 1:2 host-guest complexes is accomplished by C—H⋯O, C—H⋯N and C—H⋯π inter­actions, which create a three-dimensional supra­molecular network.
  • Keywords
    crystal structure , macrocycle , hydrogen bonding and C—H⋯π inter­actions
  • Journal title
    Acta Crystallographica Section E: Crystallographic Communications
  • Serial Year
    2021
  • Record number

    2622131