Crystal and molecular structure of 6,7,9,10,12,13,20,21,23,24,26,27-dodecahydrodibenzo[b,n][1,4,7,10,13,16,19,22]octaoxacyclotetracosin (dibenzo-24-crown-8)

Abstract

The crystal structure of the title compound (I) has been determined from 1 080 diffractometer observations by direct methods. There are two centrosymmetric molecules in a monoclinic unit cell having a= 9.187(2). b= 4.913(2). c= 26.462(5)Å, β= 104.93°, and space group P2₁/c. Full-matrix refinement of the parameters of all atoms gave R 0.11.

Dimensions of the molecule are compared with those of other macrocyclic ethers and of the complexes of dibenzo-24-crown-8 with a sodium and with a potassium salt. Significant differences are found in the torsion angles, the unusual ones in the uncomplexed molecule are correlated with packing interactions.