Bis(2-methylbenzoato-κ2O,O′)(1,10′-phenanthroline-κ2N,N′)copper(II)

Sheng-Liang Ni,Feng Zhou,Jin-Li Qi

doi:10.1107/s1600536811018162

Sheng-Liang Ni, Feng Zhou + Show 1 more

Open Access

https://doi.org/10.1107/s1600536811018162

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Abstract

In the title compound, [Cu(C8H7O2)2(C12H8N2)], the CuII atom assumes a distorted octahedral coordination geometry, chelated by two N atoms from the 1,10′-phenanthroline ligand and four O atoms from two 2-methylbenzoate anions. A significant Jahn–Teller distortion is observed with two axial Cu—O distances significantly longer than those in the equatorial CuO2N2 plane. In the crystal, π–π stacking interactions, with centroid–centroid distances of 3.547 (3) or 3.728 (3) Å between the phenanthroline rings, form layers parallel to (011).

Highlights

In the title compound, [Cu(C8H7O2)2(C12H8N2)], the CuII atom assumes a distorted octahedral coordination geometry, chelated by two N atoms from the 1,100 -phenanthroline ligand and four O atoms from two 2-methylbenzoate anions
Significant Jahn–Teller distortion is observed with two axial
The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry

Summary

Data collection

R factor = 0.045; wR factor = 0.150; data-to-parameter ratio = 12.6. In the title compound, [Cu(C8H7O2)2(C12H8N2)], the CuII atom assumes a distorted octahedral coordination geometry, chelated by two N atoms from the 1,100 -phenanthroline ligand and four O atoms from two 2-methylbenzoate anions. A significant Jahn–Teller distortion is observed with two axial. Cu—O distances significantly longer than those in the equatorial CuO2N2 plane. In the crystal, – stacking interactions, with centroid–centroid distances of 3.547 (3) or. 3.728 (3) Å between the phenanthroline rings, form layers parallel to (011)

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