Abstract
A single crystal X-ray diffraction study of the complex α-cyclodextrin (benzyl alcohol) 2 · 6H 2O was carried out at room temperature. Space group P2 12 12, cell constants a = 22.189 (18) b = 16.602 (6), c = 8.265 (4) Å, and V = 3045 (3) Å 3. The crystal packing is of the channel type with one benzyl alcohol molecule per αCD included in the channel formed by the αCD cavities, and one benzyl alcohol and six water molecules per αCD placed in wide interstitial channels. Both symmetry-independent benzyl alcohol molecules are engaged in short CH · O contacts. The benzyl alcohol molecule placed in the interstitial channel forms close contacts with two αCD molecules such that CH groups of the outer αCD surface point at the center of the aromatic moiety with H-center distances of 2.70 Å and angles at H of 167°, suggesting weak CH · π interactions.
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