Unknown

Dataset Information

0

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

altmetric image

Publications

Crystal structure and Hirshfeld surface analysis of aqua-bis-(nicotinamide-κ<i>N</i>)bis-(4-sulfamoylbenzoato-κ<i>O</i><sup>1</sup>)copper(II).

Hökelek Tuncer T   Yavuz Vijdan V   Dal Hakan H   Necefoğlu Hacali H  

Acta crystallographica. Section E, Crystallographic communications 20180101 Pt 1


In the crystal of the title complex, [Cu(C<sub>7</sub>H<sub>6</sub>NO<sub>4</sub>S)<sub>2</sub>(C<sub>6</sub>H<sub>6</sub>N<sub>2</sub>O)<sub>2</sub>(H<sub>2</sub>O)], the Cu<sup>II</sup> cation and the O atom of the coordinated water mol-ecule reside on a twofold rotation axis. The Cu<sup>II</sup> 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  ...[more]

Similar Datasets

| S-EPMC2960236 | biostudies-literature
| S-EPMC5956347 | biostudies-literature
| S-EPMC4992899 | biostudies-literature
| S-EPMC5946959 | biostudies-literature
| S-EPMC2977558 | biostudies-literature
| S-EPMC2970982 | biostudies-literature
| S-EPMC5956340 | biostudies-literature
| S-EPMC4910347 | biostudies-literature
| S-EPMC3254320 | biostudies-literature
| S-EPMC2960200 | biostudies-literature