Novel Host-Guest Structures of 2,4,6- Tris (4-Halophenoxy)-1,3,5-Triazines(XPOT): Inclusion of C60 and Pyridine

The crystal structures of two halophenoxytriazine host-guest compounds are reported and discussed. They feature inclusion of C60 into cages of 2,4,6-tris(4-iodophenoxy)-1,3,5-triazine [IPOT, hexagonal, P63/m, a=16.367(2)Å, c=20.661(4)Å, V=4793.1(13)Å3, Z=2] and of pyridine6-clusters into cages of 2,4,6-tris(4-bromophenoxy)-1,3,5-triazine (BrPOT, rhombohedral, R $$ \bar{3} $$ , a=15.5186(8)Å, c=39.521(3)Å, V=8242.7(8)Å3, Z=6). The stackings of the threefold symmetric layers of XPOT host molecules are different from each other and from those of all previously reported XPOT inclusion compounds (X: Cl, Br, I). Graphical Abstract: The new compounds IPOT3·C60 and BrPOT2·py3, represent new packing types in the family of threefold symmetric XPOT inclusion compounds (XPOT=2,4,6-tris(4-halophenoxy)-1,3,5-triazine; X=Cl, Br, I