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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 33, Number 6
BKCSDE 33(6)
June 20, 2012 

Metal-Ion Interactions with Sugars. The Crystal Structure of CaCl2-Fructose Complex
Jianyu Guo, Yan Lu*, Roger Whiting
Ca-D-fructose complex, Crystal structure, Coordinate
The single-crystal structure of CaCl2·2C6H12O6·3H2O was determined with Mr=525.34, a=16.054(7) Å, b=7.864(4) Å, c=10.909(5) Å, β=127.894(8)°, V=1086.9(9) Å3, C2, Z=2 and R=0.0227 for 1727 observed reflections. The fructose moiety of the complex exists as a β-D-pyranose. The calcium ion is surrounded by eight oxygen atoms, These are arranged in symmetry-related pairs derived from four sugar and two water molecules. Three nonvicinal hydroxyl groups of fructose are involved in calcium binding. All the hydroxyl groups and water molecules are involved in forming an extensive hydrogen-bond network.
2028 - 2030
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