title: A structural and thermal investigation of the inclusion of parabens in heptakis(2,6-di-O-methyl)cyclomaltoheptaose.
abstract: The structures of the inclusion complexes formed by heptakis(2,6-di-O-methyl)cyclomaltoheptaose and methyl-, ethyl-, propyl- and butyl parabens have been solved and analysed by X-ray diffraction. Each inclusion complex crystallises in the space group P2(1)2(1)2(1) with Z=4 and a host-to-guest ratio of 1:1. However the packing arrangements and modes of guest inclusion are not equivalent for the four structures. The analytical data indicated that two isostructural pairs, the methyl- and ethyl-paraben complexes, have similar cell parameters that differ from those of the propyl- and butyl paraben complexes. The results of thermogravimetric analysis and differential scanning calorimetry of the complexes are also reported.
authors.affiliation: Department of Chemistry, University of Cape Town, Rondebosch 7701, South Africa.
authors.forename: Elise J C
authors.initials: EJ
authors.lastname: de Vries
authors.forename: Mino R
authors.initials: MR
authors.lastname: Caira
mesh_terms: D002236:Carbohydrate Conformation; D003505:Cyclodextrins / Q000737:chemistry*; D057927:Hydrophobic and Hydrophilic Interactions; D008958:Models, Molecular; D010226:Parabens / Q000737:chemistry*; D013816:Thermodynamics; D014867:Water / Q000737:chemistry; D014961:X-Ray Diffraction
chemical_list: D003505:Cyclodextrins; D010226:Parabens; C487419:heptakis(2,6-di-O-methyl)cyclomaltoheptaose; D014867:Water