Bis[4-amino-3,5-bis-(pyridin-2-yl)-4H-1,2,4-triazole-κN,N]bis-(benzene-1,2-dicarb-oxy-lic acid-κO)copper(II) bis-(2-carb-oxy-benzoate)

Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):m129-30. doi: 10.1107/S1600536812000128. Epub 2012 Jan 11.

Abstract

In the complex cation of the title salt, [Cu(C(12)H(10)N(6))(2)(C(8)H(6)O(4))(2)](C(8)H(5)O(4))(2), the Cu(II) atom, lying on an inversion center, exhibits a distorted octa-hedral geometry defined by four N atoms from two 4-amino-3,5-bis-(pyridin-2-yl)-4H-1,2,4-triazole ligands in the equatorial plane and two axial O atoms from two benzene-1,2-dicarb-oxy-lic acid ligands. In the crystal, the complex cations and the monodeprotonated 2-carb-oxy-benzoate anions are connected by O-H⋯O and N-H⋯O hydrogen bonds, forming a tape along [100]. Adjacent tapes are further linked into a three-dimensional arrangement via π-π stacking inter-actions between the triazole and benzene rings and between the pyridine and benzene rings [centroid-centroid distances = 3.6734 (14)/3.9430 (16) and 3.8221 (14) Å]. Intra-molecular N-H⋯N and O-H⋯O hydrogen bonds are also observed.