Crystal Structure of 6, 6' ‐ Dihydroxy ‐ 2, 2' ‐ biphenyl ‐ 19 ‐ crown ‐ 5 ; Comparison of Some Structural Features among Related Ligands and Compounds

It has been determined the crystal structure of 6,6'‐dihydroxy‐2,2'‐biphenyl‐19‐crown‐5, C₂₂H₂₈O₇ (1a). Likewise, it has been set up a comparison between the results and some features of this structure obtained by molecular mechanics calculations. Due the presence of a hydrogen bond, the crown oxygens have not a geometrical disposition to lead its electronic pairs into the cavity and therefore the system complexation constant decreases, compared to some related ligands and compounds.