Aqua(2,2′-bipyridine-κ2N,N′)(3,5-dinitrobenzoato-κO1)copper(II) tetrahydrofuran monosolvate

Norbani Abdullah,Edward R T Tiekink,A P Safwan,M I Mohamadin

doi:10.1107/s1600536810030436

Norbani Abdullah, Edward R T Tiekink + Show 2 more

Open Access

https://doi.org/10.1107/s1600536810030436

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Abstract

The title complex, [Cu(C7H3N2O6)2(C10H8N2)(H2O)]·C4H8O, features a pentacoordinate CuII atom bound by two monodentate carboxylate ligands, a bidentate 2,2′-bipyridine molecule [dihedral angle between pyridine rings = 5.0 (2)°] and a water molecule. The resulting N2O3 donor set defines a distorted square-pyramidal geometry with the coordinated water molecule in the apical position. In the crystal, the presence of O—Hw⋯Oc (w = water and c = carbonyl) hydrogen bonding leads to the formation of a supramolecular chain propagating along the c axis, which associates into a double chain via C—H⋯ O and π–π contacts between pyridyl rings [centroid–centroid distance = 3.527 (3) Å]. The solvent molecules, which are disordered over two orientations in a 0.678 (11):0.322 (11) ratio, occupy voids defined by the complex molecules and are held in place via C—H⋯O interactions.

Highlights

The title complex, [Cu(C7H3N2O6)2(C10H8N2)(H2O)]C4H8O, features a pentacoordinate CuII atom bound by two monodentate carboxylate ligands, a bidentate 2,20 -bipyridine molecule [dihedral angle between pyridine rings = 5.0 (2) ] and a water molecule
The presence of O—Hw Oc (w = water and c = carbonyl) hydrogen bonding leads to the formation of a supramolecular chain propagating along the c axis, which associates into a double chain via C—H O and – contacts between pyridyl rings [centroid–centroid distance = 3.527 (3) Å]
Symmetry codes: (i) x, y, z−1; (ii) −x+1/2, y, z−1/2; (iii) −x+3/2, y, z+1/2; (iv) −x+1, −y+2, z−1/2

Summary

Crystal data

Key indicators: single-crystal X-ray study; T = 100 K; mean (C–C) = 0.008 Å; disorder in solvent or counterion; R factor = 0.060; wR factor = 0.134; data-toparameter ratio = 14.0. The title complex, [Cu(C7H3N2O6)2(C10H8N2)(H2O)]C4H8O, features a pentacoordinate CuII atom bound by two monodentate carboxylate ligands, a bidentate 2,20 -bipyridine molecule [dihedral angle between pyridine rings = 5.0 (2) ] and a water molecule. The presence of O—Hw Oc (w = water and c = carbonyl) hydrogen bonding leads to the formation of a supramolecular chain propagating along the c axis, which associates into a double chain via C—H O and – contacts between pyridyl rings [centroid–centroid distance = 3.527 (3) Å]. 0.678 (11):0.322 (11) ratio, occupy voids defined by the complex molecules and are held in place via C—H O interactions

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