Abstract
The structure of sterically hindered molecules of 2,2′-bis(5-phenyl-1-,3,4-oxadiazol-2-yl)biphenyl has been studied. Crystals that are suitable for x-ray diffraction analysis can be obtained for the different conformers of this compound. It has been found that during synthesis the molecule of this compound is obtained in an energetically less favorable conformation. On the basis of model calculations using the AMI method with geometry optimization it has been proposed that during synthesis there are no changes in conformation of either the intermediates or the final product and the conformation of the resulting oxadiazole system is governed by the conformation of the initial 2,2′-diphenic acid dichloride.
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Additional information
Khar'kov State University, Khar'kov 310077. Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 7, pp. 984–991, July 1996. Original article submitted April 23, 1996.
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Baumer, V.N., Dorshenko, A.O., Verezubova, A.A. et al. Molecular structure and conformations of a sterically hindered aryl derivative of 1,3,4-oxadiazole containing an o,o′-biphenyl ring system. Chem Heterocycl Compd 32, 844–850 (1996). https://doi.org/10.1007/BF01165732
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DOI: https://doi.org/10.1007/BF01165732