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Updated: Jan 1, 2026

Quantifying the Binding Interactions Between CuII and Peptide Residues in the Presence and Absence of Chromophores
Published on: April 5, 2022
Aqua-bis-(3-fluoro-benzoato-κO)(1,10-phenanthroline-κN,N')copper(II)
1Department of Chemistry, East China University of Science and Technology, School of Chemistry and Molecular Engineering, Mei Long Road 130, Shanghai 200237, People's Republic of China.
Abstract:
In the title compound, [Cu(C(7)H(4)FO(2))(2)(C(12)H(8)N(2))(H(2)O)], the coordination around the Cu(II) atom is square-pyramidal. The equatorial positions are occupied by two N atoms from a 1,10-phenanthroline ligand [Cu-N = 2.008 (3) and 2.019 (3) Å] and two O atoms from 3-fluoro-benzoate ligands and a water mol-ecule [Cu-O = 1.950 (2) and 1.978 (2) Å]. One O atom from another 3-fluoro-benzoate ligand occupies the apical positon [Cu-O = 2.210 (2) Å]. Hydrogen bonds occur between coordinated water mol-ecules and benzoate ligands, while O-H⋯O, C-H⋯O, C-H⋯F and π-π stacking [centroid-centroid distance = 3.731 (2) Å] inter-actions consolidate the crystal packing.
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