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

Acta Crystallographica Section E: Crystallographic Communications

Anke Schwarzer¹  Monika Mazik¹  Felix Amrhein¹ 

[1] Technische Universität Bergakademie Freiberg, Leipziger Str. 29, D-09596 Freiberg/Sachsen, Germany;

关键词: crystal structure;    macrocycle;    hydrogen bonding and c—h...π interactions;   

DOI  :  10.1107/S2056989021001067

来源: DOAJ

【 摘 要 】

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.

【 授权许可】

Unknown