25-Allyloxy-5,11,17,23-tetra-tert-butyl-26,27,28-trihydroxycalix[4]arene chloroform disolvate.
In the title solvated calixarene, C(47)H(60)O(4) x 2 CHCl(3), the host chalice displays an almost undistorted cone conformation, stabilized by three strong O-H...O hydrogen bonds at the calixarene's lower rim. One chloroform solvent molecule is fixed in the calixarene cavity by C-H...pi interactions, while the second is accommodated in a clathrate-like mode in elliptical packing voids. These voids are spanned by six host molecules connected via C-H...pi contacts and van der Waals interactions. Within the crystal structure, one tert-butyl group of the calixarene host is disordered over two orientations, with occupancies of 0.884 (4) and 0.116 (4). Furthermore, both solvent molecules show disorder, with occupancies of 0.857 (2) and 0.143 (2) for the cavitate-type, and 0.9359 (17) and 0.0641 (17) for the clathrate-type chloroform solvent molecules.
Gruber
Tobias
T
Institut für Organische Chemie, TU Bergakademie Freiberg, Leipziger Strasse 29, D-09596 Freiberg/Sachsen, Germany.
Eissmann
Frank
F
Seichter
Wilhelm
W
Weber
Edwin
E