Inclusion complexes, computer projections

Fig. 3. Computer projections of P-cyclodextfin inclusion complexes of (a) (R)-propranolol and (b) (3)-piopianolol from x-ray crystallographic data. Dotted lines represent potential hydrogen bonds (see text). The configurations shown represent the optimal orientation of each isomer on the basis of the highest...

X-ray crystal structures were used for the production of computer projected images of inclusion complexes of structural isomers, enantiomers and dlastereomers with a- or B-cyclodextrin. These projections allow for a visual evaluation of the interaction that occurs between various molecules and cyclodextrin, and an understanding of the mechanism for chromatographic resolution of these agents with bonded phase chromatography. 

This review will illustrate examples of computer projected models of inclusion complexes of structural isomers (ortho, meta, para nitrophenol), enantiomers (d- and 1- propranolol) and diastereomers [cis and trans. l(p-B-dimethylaminoethoxy-phenyl-butene), tamoxifen] in either a- or B-cyclodextrin. The use of these computer projections of the crystal structures of these complexes allows for the demonstration and prediction of the chromatographic behavior of these agents on immobilized cyclodextrin. 

Figure 22-10. Computer projections of inclusion complexes of (A) d-propranolol and (B) Z-propranolol in (l-CD. Dashed lines represent potential hydrogen bonds (Reprinted from reference 50, with permission.)...

Figure 6.10 Structures (computer projections) of diastereoisomeric inclusion complexes of (a) d-propranolol and (b) /-propranolol in fi-CD.--, hydrogen bondings [12],...

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