Structure of the inclusion complex of β-cyclodextrin with lipoic acid from laboratory powder diffraction data
Structure of the inclusion complex of β-cyclodextrin with lipoic acid from laboratory powder diffraction data
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DOI：
10.1107/s0108768112004284
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发表时间：
2012-04-01
期刊：
影响因子：
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通讯作者：
Tomoaia-Cotisel, Maria
中科院分区：
文献类型：
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作者：
Racz, Csaba-Pal;Borodi, Gheorghe;Tomoaia-Cotisel, Maria
通过实验室粉末衍射数据确定了β-环糊精与硫辛酸包合物的晶体结构。热重数据用于估计晶体结构中的水分子的数量。硫辛酸通过β-环糊精的主面被包含在β-环糊精中，其中五元环到达环糊精腔的中心平面，并且其脂肪酸链采用弯曲构象。硫辛酸和β-环糊精形成通道状堆积，其通过客居氢键和紧密接触、主体-主体分子间相互作用和涉及水分子的氢键来稳定。
The crystal structure of the inclusion complex of beta-cyclodextrin with lipoic acid was determined from laboratory powder diffraction data. Thermogravimetric data was used to estimate the number of water molecules in the crystal structure. Lipoic acid is included in beta-cyclodextrin through its primary face with the five-membered ring reaching the center plane of the cyclodextrin cavity and its fatty acid chain adopting a bent conformation. Lipoic acid and beta-cyclodextrin form a channel-like packing which is stabilized by guesthost hydrogen bonding and close contacts, host-host intermolecular interactions and hydrogen bonding involving the water molecules.