Novel Host–Guest Structures of 2,4,6- Tris (4-Halophenoxy)-1,3,5-Triazines(XPOT): Inclusion of C 60 and Pyridine

The crystal structures of two halophenoxytriazine host–guest compounds are reported and discussed. They feature inclusion of C 60 into cages of 2,4,6-tris(4-iodophenoxy)-1,3,5-triazine [IPOT, hexagonal, P 6 3 / m , a = 16.367(2) Å, c = 20.661(4) Å, V = 4793.1(13) Å 3 , Z = 2] and of pyridine 6 -clusters into cages of 2,4,6- tris (4-bromophenoxy)-1,3,5-triazine (BrPOT, rhombohedral, R 3̅ , a = 15.5186(8) Å, c = 39.521(3) Å, V = 8242.7(8) Å 3 , 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 IPOT 3 ·C60 and BrPOT 2 ·py 3 , 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) .