Crystal structure and Hirshfeld surface analysis of aqua-bis-(nicotinamide-κ N)bis-(4-sulfamoylbenzoato-κ O1)copper(II)

Tuncer Hökelek; Vijdan Yavuz; Hakan Dal; Hacali Necefoğlu

doi:10.1107/S2056989017017765

Crystal structure and Hirshfeld surface analysis of aqua-bis-(nicotinamide-κ N)bis-(4-sulfamoylbenzoato-κ O¹)copper(II)

Acta Crystallogr E Crystallogr Commun. 2018 Jan 1;74(Pt 1):45-50. doi: 10.1107/S2056989017017765.

Authors

Tuncer Hökelek¹, Vijdan Yavuz², Hakan Dal³, Hacali Necefoğlu^{2

4}

Affiliations

¹ Department of Physics, Hacettepe University, 06800 Beytepe, Ankara, Turkey.
² Department of Chemistry, Kafkas University, 36100 Kars, Turkey.
³ Department of Chemistry, Anadolu University, 26470 Yenibağlar, Eskişehir, Turkey.
⁴ International Scientific Research Centre, Baku State University, 1148 Baku, Azerbaijan.

Abstract

In the crystal of the title complex, [Cu(C₇H₆NO₄S)₂(C₆H₆N₂O)₂(H₂O)], the Cu^II cation and the O atom of the coordinated water mol-ecule reside on a twofold rotation axis. The Cu^II ion is coordinated by two carboxyl-ate O atoms of the two symmetry-related 4-sulfamoylbenzoate (SB) anions and by two N atoms of the two symmetry-related nicotinamide (NA) mol-ecules at distances of 1.978 (2) and 2.025 (3) Å, respectively, forming a slightly distorted square-planar arrangement. The distorted square-pyramidal coordination environment is completed by the water O atom in the axial position at a distance of 2.147 (4) Å. In the crystal, the mol-ecules are linked via O-H⋯O and N-H⋯O hydrogen bonds with R₂²(8) and R₂²(18) ring motifs, forming a three-dimensional architecture. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯O/O⋯H (42.2%), H⋯H (25.7%) and H⋯C/C⋯H (20.0%) inter-actions.

Keywords: copper(II); crystal structure; transition metal complexes of benzoic acid and nicotinamide derivatives.