Metal-Ion Interactions with Sugars. The Crystal Structure of CaCl2-Fructose Complex

The single-crystal structure of $CaCl_2{\cdot}2C_6H_{12}O_6{\cdot}3H_2O$ was determined with Mr=525.34, a=16.054(7) ${\AA}$, b=7.864(4) ${\AA}$, c=10.909(5) ${\AA}$, ${\beta}=127.894(8)^{\circ}$, V=1086.9(9) ${\AA}^3$, C2, Z=2 and $R$=0.0227 for 1727 observed reflections. The fructose moiety of the complex exists as a ${\beta}$-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.