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Figure 3
Structure overlay plot of the mol­ecular structure of 3 in the crystal (green; displacement ellipsoids with 50% probability) and the DFT-optimized mol­ecular structure (orange). The respective benzimidazole moieties were superimposed (r.m.s deviation for non-hydrogen atoms: 0.024 Å).

Journal logoIUCrDATA
ISSN: 2414-3146
Volume 8| Part 1| January 2023| x230025
https://doi.org/10.1107/S2414314623000251