SUPRAMOLECULAR CRYSTALLINE COMPLEXES INVOLVING BULKY HYDROXY HOSTS - X-RAY STRUCTURE-ANALYSIS OF INCLUSION-COMPOUNDS WITH ACETONE AND TOLUENE

The structures of two solid inclusion compounds formed between roof-sh aped diarylmethanol-substituted 9,10-dihydro-9,10-ethanoanthracene hos ts, 1 and 2, and acetone or toluene, 1 acetone (2:1) and 2 toluene (1: 1), were investigated by single-crystal x-ray analysis, Both compounds crystallize in the monoclinic system, although in different space gro ups [C2/c for 1 . acetone (2:1) and P2(1)/n for 2 . toluene (1: 1)]. T he crystal data are as follows: 1 . acetone (2:1), a = 19.314(1), b = 8.451(1), c = 28.533(1), beta = 103.38(1)degrees; 2 . toluene (1:1), a = 9.715(5), b = 29.51(2), c = 9.858(6), beta = 101.98(4)degrees. Conc lusions are drawn concerning the rigidity of the molecules, the nature and degree of internal molecular motions and the type of disorder pre sent in the crystals, Both hosts 1 and 2 reveal weak intramolecular in teractions between the OH group and the pi-face of the adjacent benzo ring of the ethanoanthracene moiety, The packing arrangement of 1 acet one (2:1) is governed by weak C-H ... O host-guest interactions, where as the somewhat controversial C-H ... F interactions seem to stabilize the host framework in the fluoro-containing 2 toluene (1:1) compound. (C) 1997 by John Wiley & Sons, Ltd.