click on figure for more details (Fig.2)
click on figure for more details (Fig.2)
One asymmetric crystal unit of the inclusion complex beta-CD-EtOD-8D2O, with projection along the beta-CD molecular axis. C-H hydrogen atoms in the beta-CD molecule are omitted for clarity, O-D and C-D bonds are drawn solid, and hydrogen bonds are shown as thin lines : (a) neutron structure, T=295K, major site of the ethanol molecule (occ=0.612), all alternative sites are drawn for disordered groups outside the beta-CD cavity; (b) as in (a), but minor site of the ethanol molecule (occ=0.32); (c) X-ray structure, T=295K, the site of the ethanol molecule is fully occupied; and (d) neutron structure, T=15K, the site of the ethanol molecule is fully occupied
click on figure for more details (Fig.3)
View of one asymmetric unit in the crystal structure of gamma-CD.15.7D2O. Projection is along the gamma-CD molecular axis; C-H hydrogen atoms of the gamma-CD molecules are ommited for clarity; O-D bonds are drawn solid, and hydrogen bonds are indicated as thin lines.
A 1:1 cyclopentanone: alpha-cyclodextrin inclusion complex has been studied at room temperature and at 20K. The complex is unusual in that the cyclodextrin has hexagonal symmetry. The included molecule remains disordered at low temperature, but because of the high quality of the diffraction data, it has been possible to determine the predominant conformer.
A large deuterated crystal of gamma-cyclodextrin .14 H2O was studied at room temperature and at 110K. The hydrogen bonding scheme in this system has been compared with that in the non-deuterated 11-hydrate measured carefully at Oak Ridge.