Conformational analysis of 2-phenyl-1,3-diazabicyclo[3.1.0]hexane |
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| Authors: | V. A. Pestunovich V. F. Sidorkin V. A. Shagun M. G. Voronkov S. A. Giller É. É. Liepin'sh A. V. Eremeev |
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| Affiliation: | 1. Institute of Organic Chemistry, Academy of Sciences of the USSR Siberian Branch, Irkutsk
2. Institute of Organic Synthesis, Academy of Sciences of the Latvian SSR, Riga
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| Abstract: | The 2-phenyl-1,3-diazabicyclo[3.1.0]hexane molecule was subjected to conformational analysis within the framework of the Westheimer method. The optimum conformations of two of its possible stereoisomers (endo and exo) were found, and the equilibrium concentrations of the latter were calculated and found to be 62 and 38%, respectively. The results of the calculations are in good agreement with the PMR spectroscopic data. |
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