Crystal structure of anhydrous heptakis-(2,6-di-O-methyl) cyclomaltoheptaose (dimethyl-β-cyclodextrin)
作者： Thomas Steiner , Wolfram Saenger
DOI: 10.1016/0008-6215(95)00148-M
关键词: Anhydrous 、 Crystal structure 、 Aqueous solution 、 Crystallography 、 Cyclodextrin 、 Hydrogen bond 、 Intramolecular force 、 Water of crystallization 、 Chemistry 、 Molecule
摘要: Abstract An X-ray diffraction study was carried out on dimethyl-β-cyclodextrin which crystallized from aqueous solution at 60°C without water of hydration. The molecule adopts a round shape is stabilized by systematic intramolecular O-3H z O-2 hydrogen bonds between neighboring glucose units. O-6C-8 groups three glucoses are oriented towards the molecular axis so that cyclodextrin cavity closed one end. remaining volume bowl-shaped occupied part C-6O-6C-8 rim (self-inclusion).
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sci-hub.se 参考文章(14)
Kennath A. Connors, Cyclodextrins and their industrial uses: Dominique Duchêne (Editor), Editions de Santé, 19 rue Louis-le-Grand, 75002 Paris, France, 1987, 448 pages, ISBN 2-86411-019-9. Journal of Controlled Release. ,vol. 7, pp. 88- 89 ,(1988) , 10.1016/0168-3659(88)90086-7
George A. Jeffrey, Wolfram Saenger, Hydrogen Bonding in Biological Structures ,(1991)
D. Cremer, J. A. Pople, General definition of ring puckering coordinates Journal of the American Chemical Society. ,vol. 97, pp. 1354- 1358 ,(1975) , 10.1021/JA00839A011
Thomas Steiner, Wolfram Saenger, Role of C-H.cntdot..cntdot..cntdot.O hydrogen bonds in the coordination of water molecules. Analysis of neutron diffraction data Journal of the American Chemical Society. ,vol. 115, pp. 4540- 4547 ,(1993) , 10.1021/JA00064A016
Wolfram Saenger, Nature and Size of Included Guest Molecule Determines Architecture of Crystalline Cyclodextrin Host Matrix Israel Journal of Chemistry. ,vol. 25, pp. 43- 50 ,(1985) , 10.1002/IJCH.198500008
Thomas Steiner, Katrin Geβler, Aromatic molecules included into and contacting the outer surface of cyclomaltohexaose (α-cyclodextrin): crystal structure of α-cyclodextrin-(benzyl alcohol)2-hexahydrate Carbohydrate Research. ,vol. 260, pp. 27- 38 ,(1994) , 10.1016/0008-6215(94)80019-7
E. Egert, G. M. Sheldrick, Search for a fragment of known geometry by integrated Patterson and direct methods Acta Crystallographica Section A. ,vol. 41, pp. 262- 268 ,(1984) , 10.1107/S0108767385000551
Thomas Steiner, Sax A. Mason, Wolfram Saenger, Topography of cyclodextrin inclusion complexes. 27. Disordered guest and water molecules, three-center and flip-flop O-H.cntdot..cntdot..cntdot.O hydrogen bonds in crystalline .beta.-cyclodextrin ethanol octahydrate at T = 295K: a neutron and x-ray diffraction study Journal of the American Chemical Society. ,vol. 113, pp. 5676- 5687 ,(1991) , 10.1021/JA00015A023
Gautam R. Desiraju, The C-H.cntdot..cntdot..cntdot.O hydrogen bond in crystals: what is it? Accounts of Chemical Research. ,vol. 24, pp. 290- 296 ,(1991) , 10.1021/AR00010A002
Kazuaki Harata, The Structure of the Cyclodextrin Complex. XXI. Crystal Structures of Heptakis(2,6-di-O-methyl)-β-cyclodextrin Complexes with p-Iodophenol and p-Nitrophenol Bulletin of the Chemical Society of Japan. ,vol. 61, pp. 1939- 1944 ,(1988) , 10.1246/BCSJ.61.1939