title: The crystal structure of the 1:1 inclusion complex of beta-cyclodextrin with benzamide.
abstract: The 1:1 inclusion complex of beta-cyclodextrin and benzamide was prepared and characterized by single crystal X-ray diffraction, PXRD, TGA, and IR. This complex crystallizes in the monoclinic P2(1) space group with unit cell constants a=15.4244(16), b=10.1574(11), c=20.557(2)A, beta=110.074(2) degrees , V=3025.1(6)A(3). The guest molecule projects into the beta-cyclodextrin cavity from the primary hydroxyl side. The amide group protrudes from the primary hydroxyl side and forms hydrogen bonds with the adjacent beta-cyclodextrin molecule. There are six crystallized water molecules, which play crucial roles in crystal packing.
authors.affiliation: School of Chemistry and Chemical Engineering, Sun Yat-Sen University, Guangzhou 510275, PR China.
authors.forename: En-Ju
authors.initials: EJ
authors.lastname: Wang
authors.forename: Zhao-Xun
authors.initials: ZX
authors.lastname: Lian
authors.forename: Jiwen
authors.initials: J
authors.lastname: Cai
mesh_terms: D001549:Benzamides / Q000737:chemistry*; D003460:Crystallization; D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D006878:Hydroxides / Q000737:chemistry / Q000378:metabolism; D008958:Models, Molecular; D013055:Spectrophotometry, Infrared; D014867:Water / Q000737:chemistry; D047392:beta-Cyclodextrins / Q000737:chemistry*
chemical_list: D001549:Benzamides; D006878:Hydroxides; D047392:beta-Cyclodextrins; D014867:Water; C037689:benzamide; C031356:hydroxide ion; C031215:betadex