Crystal Structures of the Cyclic Oligoesters from 6,8-Dioxabicyclo[3.2.1]octan-7-one. II. The Optically Inactive Cyclic Tetramer
![Crystal Structures of the Cyclic Oligoesters from 6,8-Dioxabicyclo[3.2.1]octan-7-one. II. The Optically Inactive Cyclic Tetramer](/no_image.webp)
Crystal Structures of the Cyclic Oligoesters from 6,8-Dioxabicyclo[3.2.1]octan-7-one. II. The Optically Inactive Cyclic Tetramer"
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The crystal structure of a cyclic tetramer from racemic 6,8-dioxabicyclo[3.2.1]octan-7-one was determined. The tetramer crystallized with 1.5 CH3CN solvate per molecule in a monoclinic space
group C2/c, with a=44.53(3), b=5.997(2), c=22.562(9) Å, β=108.41(3)°; Dc=1.338, Dm=1.34g/cm3, Z=8. The final R was 0.099 for 3120 observed data (|Fo|≥3σ(Fo)). Contrary to the expectation of
a meso compound having an inversion center or a 4 axis within the molecule, this tetramer was found to be a racemic mixture of a pair of optically active enantiomers. The molecule showed an
approximate four-fold symmetry with a roughly square 20-membered ring. The tetramer formed inclusion complex with an acetonitrile molecule accommodated in its central cavity by
dipole-dipole interaction. Another acetonitrile molecule was found on the crystallographic two-fold axis surrounded by six tetramer molecules.
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