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. 2022 Jul 25;13(8):1302–1310. doi: 10.1021/acsmedchemlett.2c00215

Figure 1.

Figure 1

Crystal structure of 4a·0.25 H2O. (a) Asymmetric unit. Carbon-bound hydrogen atoms are omitted for clarity. (b) Structure overlay (benzene rings) of the three crystallographically unique molecules (pink, blue, gray). (c) Displacement ellipsoid plot (50% probability) of molecule 1. Rotational disorder of the trifluoromethyl group and positional disorder of a water hydrogen atom are not shown for clarity. Color scheme: C, gray; H, white; N, blue; O, red; S, yellow.