Fig. 6: X-ray crystal structures of crown ether phosphoramidate and phosphinate axle rotaxanes.
From: Weak functional group interactions revealed through metal-free active template rotaxane synthesis
a Rotaxane 21. The hydrogen atom bonded to N1 in 21 is disordered over two positions, each structure is shown in (b) and (c). b Hydrogen bond lengths [Å]: O9—H9C, 3.14; O10—H8C, 2.75; O11—H1C, 2.52; O11—H16C, 2.60; O7—H1N, 2.71; O8—H1N, 2.62. Hydrogen bond angles (deg): O9—H9C, 165.3; O10—H8C, 168.2; O11—H1C, 152.5; O11—H16C, 146.1; O7—H1N, 157.7; O8—H1N, 134.0. c Hydrogen bond lengths [Å]: O1—H1N, 2.65; O9—H9C, 3.14; O10—H8C, 2.75; O11—H1C, 2.52; O11—H16C, 2.60. Hydrogen bond angles (deg): O1—H1N, 144.2; O9—H9C, 165.3; O10—H8C, 168.2; O11—H1C, 152.5; O11—H16C, 146.1. d Rotaxane 22. Two co-conformations of 22 co-crystallize, each is shown in (e) and (f). e Hydrogen bond lengths [Å]: O1—H61C, 2.39; O14—H1N, 2.36. Hydrogen bond angles (deg): O1—H61C, 171.5; O14—H1N, 174.3. f Hydrogen bond lengths [Å]: O2—H51C, 2.37; O9—H2N, 2.41. Hydrogen bond angles (deg): O2—H51C, 172.5; O9—H2N, 175.1. NH···O and CH···O hydrogen bonds shown in dark green. Solvate molecules and other hydrogen atoms omitted for clarity.
