Crystal structure of di-μ-hydroxido-bis-[aqua-(1,10-phenanthroline-κ(2) N,N')copper(II)] naphthalene-2,6-di-carboxyl-ate hexa-hydrate.

Daniela Arias-Zárate,Jesús Valdés-Martínez,María Fernanda Ballesteros-Rivas,Rubén A Toscano

doi:10.1107/s2056989015004338

Abstract

In the title compound, [Cu2(OH)2(C12H8N2)2(H2O)2](C12H6O4)·6H2O, the two hydroxide groups bridge the two Cu(II) cations, forming a centrosymmetric binuclear complex cation, in which the Cu(II) cation is coordinated by a 1,10-phenanthroline (phen) mol-ecule, one water mol-ecule and two bridging hydroxide O atoms in a distorted N2O3 square-pyramidal coordination geometry. The naphthalene-2,6-di-carboxyl-ate anion is also located on an inversion centre. In the crystal, O-H⋯O hydrogen bonds link the cations, anions and lattice water mol-ecules into a three-dimensional supra-molecular architecture. Extensive π-π stacking is observed between the parallel or nearly parallel aromatic rings of adjacent phen ligands and naphthalenedi-carboxyl-ate anions, the centroid-to-centroid distances ranging from 3.4990 (16) to 3.8895 (16) Å.

Highlights

In the title compound, [Cu2(OH)2(C12H8N2)2(H2O)2](C12H6O4)6H2O, the two hydroxide groups bridge the two CuII cations, forming a centrosymmetric binuclear complex cation, in which the CuII cation is coordinated by a 1,10phenanthroline molecule, one water molecule and two bridging hydroxide O atoms in a distorted N2O3 square-pyramidal coordination geometry
Done in water – the tendency of carboxylates to form hydrogen bonds with water is well known, as is their tendency to coordinate to CuII complexes – so these structures will give us an opportunity to evaluate the importance of water hydrogen bonding versus – interactions as the main interaction controlling the organization of the molecules in the crystal
The CuII cation is pentacoordinated with a square-pyramidal geometry, the phen coordinates as a bidentate ligand through the N atoms, the hydroxide groups bridge the two CuII cations and a water molecule is coordinated in the apical position (Fig. 1)

Summary

Chemical context

The designed arrangement of molecules through intermolecular interactions is one of the main purposes of crystal engineering. Done in water – the tendency of carboxylates to form hydrogen bonds with water is well known, as is their tendency to coordinate to CuII complexes – so these structures will give us an opportunity to evaluate the importance of water hydrogen bonding versus – interactions as the main interaction controlling the organization of the molecules in the crystal. During these studies, the title compound was unexpectedly obtained.

Structural commentary

Database survey

Supramolecular features

Refinement