| Abstrakt: |
The title compound 6-phenyl-4,6,8-triazatetracyclo[9.2.1.02,10.04,8]tetradec-2(10)-ene-5,7-dione (6) has been synthesized by the addition of 4-phenyl-1,2,4-triazole-3,5-dione (PTAD) to 2,3-dimethylenebicyclo[2.2.1]heptane. The cell parameters are a = 9.991(5), b = 11.754(9), c = 6.549(5) Å, a = 101.08(7)°, ß = 103.31(5)°, ? = 98.24(5)°. The crystal structure of 6 was determined. The obtained geometrical parameters were highly correlated with the DFT calculations. The experimentally determined folding angle of the double bond was found to be 8.44°. The effect of the electron-withdrawing ability of nitrogen atom on the degree of pyramidalization is discussed. [ABSTRACT FROM AUTHOR] |
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