Add time:09/01/2019         Source:sciencedirect.com

The crystal of the 1:1 complex of 3,3-dimethylbutylamine with cyclomaltoheptaose (βCD, β-cyclodextrin) is monoclinic C2 with a = 19.187(9), b = 24.56(1), c = 15.893(7) Å, β = 108.77(4)°, V = 7091 Å3, and Z = 4. Two βCD 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 βCD hydroxyl groups.

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