Abstract
In the title mononuclear complex, [Cu(C8H7O2)Cl(C12H8N2)(H2O)], the CuII atom is coordinated by one carboxylate O atom from a monodentate 4-methylbenzoate ligand, two N atoms from the 1,10-phenanthroline ligand, one chloride ion and one water molecule in a square-pyramidal geometry. The crystal structure exhibits inter- and intramolecular C—H⋯Cl, C—H⋯O, O—H⋯Cl and O—H⋯O hydrogen bonds, as well as C—H⋯π interactions of phenanthroline and methyl H atoms towards the π-systems of neighboring 4-methylbenzoate units and the pyridine rings of the phenanthroline system [centroid–centroid distances are 2.706 (2) and 2.992 (1) Å, respectively].
Highlights
In the title mononuclear complex, [Cu(C8H7O2)Cl(C12H8N2)(H2O)], the CuII atom is coordinated by one carboxylate O atom from a monodentate 4-methylbenzoate ligand, two N atoms from the 1,10-phenanthroline ligand, one chloride ion and one water molecule in a square-pyramidal geometry
H atoms treated by a mixture of independent and constrained refinement max = 0.36 e Å3
We report the crystal structure of the title compound, (I), a new Cu complex obtained by the reaction of 4-methylbenzoic acid, 1,10phenanthroline and copper chloride in an alkaline aqueous solution
Summary
R factor = 0.032; wR factor = 0.087; data-to-parameter ratio = 16.3. In the title mononuclear complex, [Cu(C8H7O2)Cl(C12H8N2)(H2O)], the CuII atom is coordinated by one carboxylate O atom from a monodentate 4-methylbenzoate ligand, two N atoms from the 1,10-phenanthroline ligand, one chloride ion and one water molecule in a square-pyramidal geometry. The crystal structure exhibits inter- and intramolecular C—H Cl, C—H O, O—H Cl and O—H O hydrogen bonds, as well as C—H interactions of phenanthroline and methyl H atoms towards the -systems of neighboring 4-methylbenzoate units and the pyridine rings of the phenanthroline system [centroid–centroid distances are 2.706 (2) and 2.992 (1) Å, respectively].
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