N,N,N-Triethylethanaminium 5,11,17,23-tetra-tert-butyl-25-[(ethoxycarbonyl)methoxy]-26,28-dihydroxy-27-oxido-2,8,14,20-tetrathiacalix[4]arene: a molecular salt

Abstract

In the title molecular salt, C8H20N+·C44H53O6S4−, the conformation of the anionic tetrathiacalix[4]arene, which is cone-shaped, is primarily determined by intramolecular O—H...O hydrogen bonds. There are also short intramolecular C— H...O contacts present. The guest species do not sit within the bowl of the calixarene. One of thet-butyl groups in the anion is disordered over two sets of sites with refined occupancies of 0.706 (6) and 0.294 (6). Atoms of both cations are equally disordered over centers of symmetry. In the crystal, extensive O—H...O and C—H...O hydrogen bonds and weak O—H...S interactions link the thiacalixarene anions and tetraethylammonium cations, forming a three-dimensional network.