Aromatic molecules included into and contacting the outer surface of cyclomaltohexaose (α-cyclodextrin): crystal structure of α-cyclodextrin-(benzyl alcohol)2-hexahydrate
✍ Scribed by Thomas Steiner; Katrin Geβler
- Book ID
- 102996352
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 818 KB
- Volume
- 260
- Category
- Article
- ISSN
- 0008-6215
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✦ Synopsis
A single crystal X-ray diffraction study of the complex a-cyclodextrin (benzyl alcohol), . 6H,O was carried out at room temperature. Space group P2,2,2, cell constants a = 22.189 (18) b = 16.602 (6), c = 8.265 (4) A, and V= 3045 (3) k. The crystal packing is of the channel type with one benzyl alcohol molecule per aCD included in the channel formed by the CYCD cavities, and one benzyl alcohol and six water molecules per aCD placed in wide interstitial channels. Both symmetry-independent benzyl alcohol molecules are engaged in short C-H. . . 0 contacts. The benzyl alcohol molecule placed in the interstitial channel forms close contacts with two (rCD molecules such that C-H groups of the outerocyCD surface point at the center of the aromatic moiety with H-center distances of 2.70 A and angles at H of 167", suggesting weak C-H * . . T interactions.