Acta Cryst. (2005). B61, 207-217 [ doi:10.1107/S0108768105004106 ]
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-cyclodextrin and heptakis(2,3,6-tri-O-methyl)--cyclodextrinAbstract: The crystal structures of 4-chlorophenoxyacetic acid (4CPA) included in -cyclodextrin (-CD) and heptakis(2,3,6-tri-O-methyl)--cyclodextrin (TMCD) have been studied by X-ray diffraction. The 4CPA/-CD complex crystallizes as a head-to-head dimer in the space group C2 in the Tetrad packing mode. The packing modes of some -CD dimeric complexes, having unique stackings, are also discussed. The 4CPA/TMCD inclusion complex crystallizes in the space group P21 and its asymmetric unit contains two crystallographically independent complexes, complex A and complex B, exhibiting different conformations. The host molecule of complex A is significantly distorted, as a glucosidic residue rotated about the O4'-C1 and C4-O4 bonds forms an aperture where the guest molecule is accommodated. The phenyl moiety of the guest molecule of complex B is nearly perpendicular to the mean plane of the O4n atoms. The conformations of the guest molecules of the two complexes are similar. The crystal packing consists of antiparallel columns as in the majority of the TMCD complexes published so far.
Keywords: -cyclodextrin; auxin; inclusion compound; plant growth regulators.
 |   Structure factor file (CIF format) (22.3 kbytes) |
| Structure factor file (CIF format) (996.0 kbytes) |
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