Crystal structure and Hirshfeld surface analysis of aqua-bis-(nicotinamide-κN)bis-(4-sulfamoylbenzoato-κO(1))copper(II)

水合双(烟酰胺-κN)双(4-磺酰苯甲酸-κO(1))铜(II)的晶体结构和Hirshfeld表面分析

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Abstract

In the crystal of the title complex, [Cu(C(7)H(6)NO(4)S)(2)(C(6)H(6)N(2)O)(2)(H(2)O)], 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 R(2)(2)(8) and R(2)(2)(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.

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