Table 2. Crystallographically determined dihedral angles and conformational assignments of the -O-CH2-CH2-O- linkers in 1 and 2.
Guest | Host | Θ 1(°)*/Conf. | Θ 2(°)*/Conf. | Θ 3(°)*/Conf. |
---|---|---|---|---|
'Collapsed' | CS-2 | 63.9/gauche | −87.7/gauche | −63.9/gauche |
Partial occupancy | CC-1 | 72.3/gauche | −165.3/anti | 73.8/gauche |
MeOH | 2 | 77.4/gauche | 171.9/anti | 74.5/gauche |
Xe | 2 (conf. 1)* | 73.4/gauche | −167.2/anti | −175.8/anti |
2 (conf. 2)* | 73.5/gauche | −166.9/anti | 70.7/gauche | |
1 | 71.9/gauche | −164.8/anti | 73.2/gauche | |
CDCl3 | 2 (conf. 1)* | 75.3/gauche | −174.0/anti | −171.7/anti |
|
2 (conf. 2)* |
75.0/gauche |
75.4/gauche |
−174.0/anti |
*Measured dihedral angles: Θ 1: O2-C46-C47-O3; Θ 2: O8-C56-C57-O9; Θ 3: O5-C51-C52-O6.