ISSN:
1573-1111
Keywords:
tri-o-thymotide clathrate
;
halocyclohexane guest species
;
host/guest conformational strain
;
constrained guest molecules
;
X-ray analysis
;
clathrate infrared absorption
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract The clathrate compounds of tri-o-thymotide have been prepared with chlorocyclohexane, bromocyclohexane and 2-chlorotetrahydropyran. The cage-type inclusion complex C33H36O6 · 2 1 C6H11Cl (trigonal,P3121,a=13.604(1),c=30.605(1) Å,Z=6) contains an axial-Cl chair and an axial-Cl boat conformation of the guest, distributed statistically in the ratio 2 ∶ 1 over the available sites. The observed conformations have been compared with conformers calculated by force field methods. IR spectra are consistent with the crystal structure results for the tri-o-thymotide/chlorocyclohexane clathrate. They further demonstrate the similar preferential inclusion of axial isomers of bromocyclohexane and 2-chlorotetrahydropyran.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00655734
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