Table 1.
D •••A a | d (D•••A) (Å) |
---|---|
Intramolecular H-Bonds on Calix[4]arene Lower Rim | |
O(1B)•••O(1A) | 2.871 |
O(1D)•••O(1C) | 2.922 |
Intramolecular H-Bonds on Thiosemicarbazone Substituents | |
O(2A)•••N(3A) | 2.710 |
O(2C)•••N(3C) | 2.742 |
Interactions between Water Molecule and Thiosemicarbazone Substituents b | |
N(1A)•••O(1W) | 2.978 |
N(1C)•••O(1W) | 3.185 |
O(2A)•••O(1W) | 2.850 (phenol hydroxy) |
O(2C)•••O(1W) | 3.051 (phenol hydroxy) |
Interactions between Water Molecule and Calix[4]arene Lower Rim Oxygen Atoms b | |
O(1D)•••O(1W) | 2.872 (hydroxy) |
O(1B)•••O(1W) | 2.986 (hydroxy) |
O(1C)•••O(1W) | 3.094 (alkoxy) |
O(1A)•••O(1W) | 3.258 (alkoxy) |
a The atom labels in parenthesis are those used in the deposited structure. b For clarity, the type of non-water oxygen atom involved is identified in parenthesis.