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X-ray structural analysis of (1R,2R,4S,5S,8S)-2,8-bis(4-chlorophenyl)-4-(4-nitrophenyl)-1-aza-3,7-dioxabicyclo[3,3,0]octane

“…On the basis of AM1 calculations and 1 H NMR data including those obtained in the presence of shift reagents it was shown that in these compounds the rigid bicyclic system dictates the R-configuration of the nitrogen atom [6][7][8]. Based on the calculations and the 1 H NMR data one can also decide the configuration of the two asymmetric carbon atoms in compounds 3 and 4 arising as a result of the cyclization [7,8] This work was designed to show the steric structure of compounds 3 via the X-ray analysis of a monocrystal of compound 3d which had been recrystallized from 2-propanol.…”

“…Based on the calculations and the 1 H NMR data one can also decide the configuration of the two asymmetric carbon atoms in compounds 3 and 4 arising as a result of the cyclization [7,8] This work was designed to show the steric structure of compounds 3 via the X-ray analysis of a monocrystal of compound 3d which had been recrystallized from 2-propanol. The configuration sequence of asymmetric atoms N-R, C(2)-R, C(4)-S, C(5)-S, C(8)-S obtained was in agreement with the AM1 calculations and the 1 H NMR spectroscopic data [7].…”