DMSO solvates of tert-butylcalix[6]arene and related multisolvent structures.

ABSTRACT: tert-Butylcalix[6]arene (TBC6) exhibits a rich crystal energy landscape, with structural diversity driven by macrocycle conformation, guest inclusion and self-assembly. Using multicomponent crystallization mixtures containing DMSO and additional solvents (e.g. DMF, chlorobenzene, 1,2-dichlorobenzene, anisole, THF), we obtained seven new TBC6 solvates. One structure, crystallized in the presence of pyridine, adopts a winged-cone conformation with a bilayer arrangement in the crystal. The remaining six are isostructural and feature a columnar packing of TBC6 in a 1,2,3-alternate conformation stabilized by four strong interactions with DMSO: two hydrogen bonds and two C-H...π interactions. Notably, DMSO in the TBC6 cavity is released at elevated temperatures (∼200°C), consistent with its stro

SUBMITTER: Wanat M 

PROVIDER: S-EPMC12786388 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature