The crystal structure of the 1:1 inclusion complex of β-cyclodextrin with benzamide

The 1:1 inclusion complex of β-cyclodextrin and benzamide was prepared and characterized by single crystal X-ray diffraction, PXRD, TGA, and IR. This complex crystallizes in the monoclinic P21 space group with unit cell constants a = 15.4244(16), b = 10.1574(11), c = 20.557(2) Å, β = 110.074(2)°, V = 3025.1(6) Å3. The guest molecule projects into the β-cyclodextrin cavity from the primary hydroxyl side. The amide group protrudes from the primary hydroxyl side and forms hydrogen bonds with the adjacent β-cyclodextrin molecule. There are six crystallized water molecules, which play crucial roles in crystal packing.