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Figure 3
Plot of a semiempirical, partially relaxed scan in 1° increments of the C1—C11—C12—N11 torsion angle in (I) starting at the DFT-optimized value to a value of 180.3°. The acetamide group is constrained to be approximately planar and to be approximately perpendicular to the phenyl ring during the scan. Energy (kJ mol−1) is plotted on the vertical axis with the torsion angle (°) plotted on the horizontal axis.

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ISSN: 2414-3146
Volume 10| Part 11| November 2025| x251007
https://doi.org/10.1107/S2414314625010077