| 論文名 |
A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20 K. |
| 著者 |
Delphine Gallois-Montbrun
Genevi?ve Le Bas
Sax A Mason
Thierry Prang?
Sylviane Lesieur
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| キーワード |
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| 出版年月 |
1970年1月 |
| 発表先 |
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2013 Apr;69(Pt 2):214-27. |
| WEBサイト |
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| 論文概要（和文） |
高度に水和したα-シクロデキストリン/ 1-ウンデカノール包接錯体：20 Kでの高分解能中性子回折からの結晶構造と水素結合ネットワーク。 |
| 論文概要（英文） |
The monoclinic C2 crystal structure of an α-cyclodextrin/1-undecanol host-guest inclusion complex was solved using single-crystal neutron diffraction. Large high-quality crystals were specially produced by optimizing temperature-controlled growth conditions. The hydrate crystallizes in a channel-type structure formed by head-to-head dimer units of α-cyclodextrin molecules stacked like coins in a roll. The alkyl chain of the guest lipid is entirely embedded inside the tubular cavity delimited by the α-cyclodextrin dimer and adopts an all-trans planar zigzag conformation, while the alcohol polar head group is outside close to the α-cyclodextrin primary hydroxyl groups. The cyclodextrin dimer forms columns, which adopt a quasi-square arrangement much less compact than the quasi-hexagonal close packing already observed in the less hydrated α-cyclodextrin channel-type structures usually found with similar linear guests. The lack of compactness of this crystal form is related to the high number of interstitial water molecules. The replacement of 1-undecanol by 1-decanol does not modify the overall crystal structure of the hydrate as shown by additional X-ray diffraction investigations comparing the two host-guest assemblies. This is the first study that analyses the entire hydrogen-bonding network involved in the formation of a cyclodextrin dimer surrounded by its shell of water molecules. |
