Bis(3-chlorobenzoato-κ2O,O′)bis(nicotinamide-κN)copper(II)

Nihat Bozkurt,Tuncer Hökelek,Nagihan Çaylak Delibaş,Hacali Necefoğlu,Nefise Dilek

doi:10.1107/s1600536813014694

Abstract

The molecule of the title CuII complex, [Cu(C7H4ClO2)2(C6H6N2O)2], contains two 3-chlorobenzoate (CB) and two nicotinamide (NA) ligands; the CB act as bidentate ligands, while the NA are monodentate ligands. The resulting CuN2O4 coordination polyhedron is a considerably distorted octahedron. The dihedral angles between the carboxylate groups and the adjacent benzene rings are 17.92 (12) and 24.69 (16)°, while the two benzene rings and the two pyridine rings are oriented at dihedral angles of 52.20 (8) and 1.56 (6)°. In the crystal, N—H⋯N and C—H⋯O hydrogen bonds link the molecules into a three–dimensional network. The π–π contact between the benzene rings [centroid–centroid distance = 3.982 (2) Å] may further stabilize the crystal structure.

Highlights

The molecule of the title CuII complex, [Cu(C7H4ClO2)2(C6H6N2O)2], contains two 3-chlorobenzoate (CB) and two nicotinamide (NA) ligands; the CB act as bidentate ligands, while the NA are monodentate ligands
The dihedral angles between the carboxylate groups and the adjacent benzene rings are 17.92 (12) and 24.69 (16), while the two benzene rings and the two pyridine rings are oriented at dihedral angles of 52.20 (8) and 1.56 (6)
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: RK2404)

Summary

Structure Reports Online

Nihat Bozkurt,a Nefise Dilek,b Nagihan Caylak Delibas,c Hacali Necefoglua and Tuncer Hokelekd*. Key indicators: single-crystal X-ray study; T = 296 K; mean (C–C) = 0.003 A; R factor = 0.030; wR factor = 0.083; data-to-parameter ratio = 14.8. The molecule of the title CuII complex, [Cu(C7H4ClO2)2(C6H6N2O)2], contains two 3-chlorobenzoate (CB) and two nicotinamide (NA) ligands; the CB act as bidentate ligands, while the NA are monodentate ligands. The resulting CuN2O4 coordination polyhedron is a considerably distorted octahedron. N—HÁ Á ÁN and C—HÁ Á ÁO hydrogen bonds link the molecules into a three–dimensional network. The – contact between the benzene rings [centroid–centroid distance = 3.982 (2) A ] may further stabilize the crystal structure

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