Molecular structure of unsubstituted oxadiazolic analog of ortho-POPOP and peculiarities of conformational structure of this class of sterically hindered organic compounds

Article abstract of DOI:10.1016/S0022-2860(01)00889-4

X-ray molecular structure of unsubstituted oxadiazolic ortho-analog of 1,4-bis-(5-phenyl-oxazolyl-2)-benzene (POPOP), synthesized via the 2,5-diphenyl-1,3,4-oxadiazole ortho-carbonic acid was revealed. Its conformation was found to be the same as for the compound obtained earlier from the 2,5-diphenyl-oxazole ortho-carbonic acid. Quantum-chemical modeling was conducted to understand the peculiarities of conformational structure of the investigated class of sterically hindered compounds.