THE CRYSTAL-STRUCTURE OF THE INCLUSION COMPLEX OF CYCLOMALTOHEPTAOSE (BETA-CYCLODEXTRIN) WITH 3,3-DIMETHYLBUTYLAMINE

被引:13
作者
MAVRIDIS, IM [1 ]
HADJOUDIS, E [1 ]
TSOUCARIS, G [1 ]
机构
[1] UNIV PARIS 11,CTR PHARMACEUT,PHYS LAB,F-92290 CHATENAY MALABRY,FRANCE
关键词
D O I
10.1016/0008-6215(91)80002-5
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
The crystal of the 1:1 complex of 3,3-dimethylbutylamine with cyclomaltoheptaose (beta-CD, beta-cyclodextrin) is monoclinic C2 with a = 19.187(9), b = 24.56(1), c = 15.893(7) angstrom, beta = 108.77(4)degrees, V = 7091 angstrom 3, and Z = 4. Two beta-CD molecules, held together by intermolecular hydrogen bonds involving HO-3, form dimers, in the cavities of which two 3,3-dimethylbutylamine and two water molecules are accommodated. The guest molecule is completely enclosed in the cavity. The amino group is located at the secondary-hydroxyl-group side, and is hydrogen-bonded to the entrapped water molecules. The dimers form channels along the c axis. The inter-dimer space is filled with 10.7 water molecules that are distributed over 14 sites, and there is a dense network of hydrogen bonds involving the water molecules and the beta-CD hydroxyl groups.
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页码:11 / 21
页数:11
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