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. 2020 Jan 16;25(2):370. doi: 10.3390/molecules25020370

Table 1.

Summary of the main short interactions found in the structure of L.

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.