Crystal and molecular structure of the (1 : 1) clathrate between a calix[4]arene containing onep-nitrophenol unit and toluene

1990

p-(Methyl,tert-butyl, nitro,tert-butyl) calix[4]arene: toluene, C37H41NO6. C7H8,Mr = 687.87, triclinic,\(P\bar 1\),a = 13.668(2),b = 12.187(2),c = 13.231(1) A,α = 106.78(8),β = 77.88(1),γ = 114.00(1)°,V = 1916.8(8) A3,Z = 2,Dx = 1.19 g cm−3,λ (CuKα) = 1.54178 A,μ = 5.90 cm−1,F(000) = 736,T = 293 K, finalR = 0.068 for 6309 observed reflections. This macrocycle, having different substituents at the positionspara to the hydroxyl groups, is the first one of its type to be studied. The general conformation of this calix[4]arene is compared to similar symmetrical ones. Thetert-butyl groups are not disordered as is usual and toluene is retained between the macrocycles. Two calixarene molecules are…