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. 2017 Sep 8;2(9):5641–5659. doi: 10.1021/acsomega.7b00282

Figure 13.

Figure 13

Crystal structures of compounds containing both phenol and guanidine groups, showing H-bond network and distances. (A) (p-phenolyl)dodecylguanidine free base. Formula: C21 H41N3O3. Space group: P – 1. Cell length (Å): a = 6.7626, b = 7.9144, c = 21.892. Cell angles: α = 94.407°, β = 98.175°, γ = 106.478°. R-factor (%): 4.27. (B) (p-Phenolyl)ethylguanidine free base. Formula: C10 H17N3O2. Space group: P21/c. Cell length (Å): a = 10.1822 (5), b = 10.0597 (5), c = 11.9084 (6). Cell angles: α = 90.00°, β = 109.8880° (10), γ = 90.00°. R-factor (%): 3.03. (C) (p-Phenolyl)ethylguanidinium bromide. Formula: C9H14BrN3O2. Space group: P21/c. Cell length (Å): a = 11.1931 (7), b = 10.0659 (6), c = 9.8327 (6). Cell angles: α = 90.00, β = 101.508(2), γ = 90.00. R-factor (%): 1.95.