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Figure 2
The conformational energy contour map of (II[link]) as a function of the N2—N1—C1—C2 and N1—N2—C1′—C2′ torsion angles, obtained by the HF/3-21G method (Frisch et al., 1998BB6). Contours are labelled with energy in kcal mol−1 (1 kcal = 4.184 kJ) above the minimum energy point at (0°, 0°). The symbol in the upper right relates to the experimental conformation of (II) obtained from X-ray diffraction.

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296
Volume 58| Part 9| August 2002| Pages o545-o548
doi:10.1107/S0108270102011952
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