0000000000802130
AUTHOR
S. Rantsordas
Structure of 5,17-dimethyl-11,23-dioctylcalix[4]arene
The title compound C46O4H60 crystallizes in the triclinic space group, P¯1, witha=11.584(2),b=16.261(2),c=11.172(1) A,α=103.15(8),β=95.68(1),γ=96.85(1)°. The structure was solved by direct methods, and refined by weighted full-matrix least squares toR=0.097. This is the second calix[4]arene with two different alkyl substituents atpara positions of the phenolic rings. The macrocycle adopts the cone conformation. Interactions CH3-π are established between two calixarenes related by a center of symmetry. Comparisons are made between the conformation of this molecule and that of symmetrically substituted calix[4]arenes.
Crystal and molecular structure of the (1 : 1) clathrate between a calix[4]arene containing onep-nitrophenol unit and toluene
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…