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

ABSTRACT: In the crystal of the title complex, [Cu(C7H6NO4S)2(C6H6N2O)2(H2O)], the CuII cation and the O atom of the coordinated water mol-ecule reside on a twofold rotation axis. The CuII 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.

SUBMITTER: Hokelek T 

PROVIDER: S-EPMC5778483 | biostudies-literature | 2018 Jan

REPOSITORIES: biostudies-literature