Molecular and crystal structure of 3,3-dimethyl-5-(2-naphthyl)-1-(4-nitrophenyl)-3,5a-dihydro-1H-azireno[1,2-c]imidazole |
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| Authors: | V V D’yakonenko A V Zbruev V A Chebanov S M Desenko O V Shishkin |
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| Institution: | (1) Institute of Single Crystals RDC, Institute of Scintillation Materials, National Academy of Sciences of Ukraine, Kharkov |
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| Abstract: | An X-ray study of 3,3-dimethyl-5-(2-naphthyl)-1-(4-nitrophenyl)-3,5a-dihydro-1H-azireno1,2-c]imidazole revealed that the pyrazoline cycle has an envelope conformation. The endocyclic C=N double bond is slightly twisted. Quantum chemical calculations showed that this ring conformation is due to intramolecular interactions and is typical for substituted bicyclic aziridines. |
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| Keywords: | bicyclic aziridine X-ray investigation conformation |
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