Indexed on: 01 Mar '94Published on: 01 Mar '94Published in: Journal of Inclusion Phenomena and Macrocyclic Chemistry
1,2-bis-crown-5-calixarene (3) was prepared by reacting calixarene (1) with tetraethylene glycol di-p-toluenesulphonate (2) in the presence of cesium carbonate in 9% yield. The X-ray structure of (3) was determined. Crystal data for C44H52O10 are as follows: monoclinic, space groupP2/c witha=18.006(8) Å,b=10.680(4) Å,c=22.359(6) Å, β=112.93(3)°,V=3958(6) Å3,Z=4,Dcalc=1.2 g cm−3, the finalR value is 0.11 for the 1851 observed reflections (I>3σ(I)). The single crystal included two similar but slightly different molecules immobilized in a pinched-cone conformation withC2 symmetry. The two enantiomorphous molecules were analyzed by molecular mechanics using the GenMol program to model the selective alkali-metal complexation.