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Updated: May 27, 2026

Preparation of SNS Cobalt(II) Pincer Model Complexes of Liver Alcohol Dehydrogenase
Published on: March 19, 2020
Diaqua-bis-(N,N'-diethyl-nicotinamide-κN)bis-(4-fluoro-benzoato-κO)copper(II)
Abstract:
The asymmetric unit of the title mononuclear Cu(II) complex, [Cu(C(7)H(4)FO(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], contains one-half of the mol-ecule. The Cu(II) ion is located on an inversion centre, and is coordinated by two N atoms from two diethyl-nicotinamide ligands, two O atoms from two 4-fluoro-benzoate (PFB) ligands and two water mol-ecules in a distorted octa-hedral geometry. In the PFB ligand, the carboxyl-ate group is twisted at an angle of 2.10 (14)° from the attached benzene ring. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds link mol-ecules related by translation along the a axis into chains. Weak inter-molecular C-H⋯O hydrogen bonds and π-π inter-actions between the pyridine rings of neighbouring mol-ecules [centroid-to-centroid distance = 3.571 (2) Å] further consolidate the crystal packing.
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