L. E. Ochando, A. M. Costero, E. Monrabal, M. Pitarch: Crystal Structure of 6, 6’ - Dihydroxy - 2, 2’ - biphenyl - 19 - crown - 5 ; Comparison of Some Structural Features among Related Ligands and Compounds

Crystal Research and Technology

Cryst. Res. Technol. 36 (2001) 223 - Abstract -

L. E. Ochando, A. M. Costero*, E. Monrabal*, M. Pitarch*

Department of Geology, University of Valencia, Spain
*Department of Organic Chemistry, Faculty of Pharmacy, University of Valencia, Spain

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.

Keywords: crown ether, x-ray diffraction crystal structure, molecular mechanics, related compounds

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