ISSN:
1573-1111
Keywords:
Doubly crowned calix[4]arene
;
X-ray structure
;
proximal functionalization
;
alkali cations
;
modeling by molecular mechanics
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract 1,2-bis-crown-5-calix[4]arene (3) was prepared by reacting calix[4]arene (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 groupP 2/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,D calc=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 withC 2 symmetry. The two enantiomorphous molecules were analyzed by molecular mechanics using the GenMol program to model the selective alkali-metal complexation.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00708988
