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Crystal and molecular structure of a novel hexa-host inclusion compound with squalene as guest

✍ Scribed by Andrew Freer; Christopher J. Gilmore; David D. MacNicol; Derek R. Wilson

Publisher: Elsevier Science
Year: 1980
Tongue: French
Weight: 192 KB
Volume: 21
Category: Article
ISSN: 0040-4039
DOI: 10.1016/s0040-4039(01)83939-3

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✦ Synopsis

An X-ray study of the adduct formed by hexakis(p-tbutylphenylthiomethyl)benzene (I) with squalene (II) establishes the first example of channel-type inclusion behaviour for a hexahost molecule, the guest triterpene (II) being observed in a novel conformation controlled by host-guest interactions. In recent studies, l-4 X-ray crystallographic methods have revealed the conformations of small guest molecules accommodated in the cages of clathrate inclusion compounds. 5 We now report the determination of the structure of the large guest species squalene C3UH5U, (II), present in a novel channel-type adduct with the versatile hexa-host molecule, (I) 3,6 hexakis(p-t-butylphenylthiomethyl)benzene .

The present work is notable in that it provides the first unambiguous structural information concerning a channel-type7 hexa-host inclusion compound.

Another important aspect of this study is the direct observation of a squalene conformation distinct from that found in the normal molecular crystal (at -llO°C) of this biologically important triterpene. 8

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