I. Garneau et al., A THIOUREA-1,5-CYCLOOCTADIENE CLATHRATE AT 173 K, Acta crystallographica. Section C, Crystal structure communications, 51, 1995, pp. 538-541
The structure of the host-guest-type clathrate, thiourea-1,5-cycloocta
diene (3/1) 3CH(4)N(2)S.C8H12, at 173 K, is reported. The thiourea mol
ecules (host) form nearly hexagonal channels while the ordered 1,5-cyc
looctadiene guest molecules occupy the channels. The channels result f
rom hydrogen bonding between thiourea molecules. The channel axis is p
arallel to the ac bisector. Although the guest molecules are well defi
ned, there seems to be slight orientational disorder about their centr
e of mass.