A 1:1 inclusion complex of adamantanone with β-cyclodextrin (β-CyD) has been crystallized and its structure determined by single crystal X-ray methods. This complex crystallizes in space group P2 1, Z=4, Dc = 1.25 g/cm 3, a = 15.428 (5), b = 32.545 (5), c = 15.437 (5) Å, β = 103.56(2)°. The structure was solved by a Patterson search and was refined on F 2 for all reflections to a final value of R(F) = 0.116 for 6306 reflections with I > 2σ(I). The β-CyD molecules follows the screw channel mode of packing. Guests are disordered in three well-defined regions inside the CyD cavities, while water molecules surround the CyD.
|Publication status||Published - 1 Dec 1999|