• Media type: E-Article
  • Title: Crystal structure of methanol solvate of a macrocycle bearing two flexible side-arms
  • Contributor: Amrhein, Felix [Author]; Schwarzer, Anke [Author]; Mazik, Monika [Author]
  • imprint: Chester: International Union of Crystallography, [2024]
  • Published in: Acta Crystallographica ; 77,3 (2021), Seite 233-236
  • Language: English
  • DOI: https://doi.org/10.1107/S2056989021001067
  • Keywords: publishing fund ; Kristallstruktur ; Publikationsfonds ; crystal structure ; Wasserstoffbrückenbindung ; hydrogen bonding and C—Hπ inter­actions ; macrocycle ; Zwischenmolekulare Kraft ; Imine ; Boc-Gruppe ; Makrocyclische Verbindungen
  • Origination:
  • Footnote:
  • Description: 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.
  • Access State: Open Access
  • Rights information: Attribution (CC BY)