β-Cyclodextrin dimethylformamide 12.5 hydrate: a deeper insight into β-cyclodextrin crystal packing

Abstract

The structure of a 1:1 β-cyclodextrin-dimethylformamide hydrated complex has been determined from single-crystal X-ray diffraction data. A complete study of the structure is presented herein, including invariom refinement and interaction energy calculations. The structure has unit-cell parameters that are different from those of other β-cyclodextrin complexes crystallizing in the same space group, but exhibits the known herringbone packing type. A structural comparison of these complexes has been carried out with XPac in order to understand the origin of the differences in packing and unit-cell parameters. The results show that the differences are most likely ascribed to variations in hydration and in the hydrogen-bonded network.

High-pressure crystallography of periodic and aperiodic crystals

“…At the end of 2012, the group published a new crystal structure of the novel hydrate of -cyclodextrin crystallized at 0.65 GPa (Granero-García et al, 2012). At the beginning of 2014, they published the crystal structure of the first simple inclusion complex of -cyclodextrin and dimethylformamide (Granero-García & Fabbiani, 2014). The presentation at the microsymposium is a logical continuation of this work.…”

Novel non-covalent stable supramolecular ternary system comprising of cyclodextrin and branched polyethylenimine

“…Also, it was found that on the basis of host–guest interactions, the CD is not only able to complex simple molecules (like the aromatic compounds [ 16 ]. or typical organic solvents [ 17 ]), but also linear polymers, as for example poly(ethylene glycol) (PEG) [ 18 ] or poly(acrylamide) [ 19 ] Interestingly, under appropriate pH conditions the CD is also capable to interact with typical hydrophilic linear macromolecules, i.e. the linear polyethylenimine (PEI) [ 20 ] or PEG [ 21 ] part of the PEG-PEI copolymer, which results in formation of polyrotaxane-like structures.…”