Crystal structure of hexa-μ-chlorido-μ4 -oxido-tetra-kis-{[1-(2-hy-droxy-eth-yl)-2-methyl-5-nitro-1H -imidazole-κN3 ]copper(II)} containing short NO2 ⋯NO2 contacts

Acta Crystallographica. Section E, Crystallographic Communications
Ja-Shin WuRita K Upmacis

Abstract

The title tetra-nuclear copper complex, [Cu4Cl6O(C6H9N3O3)4] or [Cu4Cl6O-(MET)4] [MET is 1-(2-hy-droxy-eth-yl)-2-methyl-5-nitro-1H-imidazole or metronidazole], contains a tetra-hedral arrangement of copper(II) ions. Each copper atom is also linked to the other three copper atoms in the tetra-hedron via bridging chloride ions. A fifth coordination position on each metal atom is occupied by a nitro-gen atom of the monodentate MET ligand. The result is a distorted CuCl3NO trigonal-bipyramidal coordination polyhedron with the axial positions occupied by oxygen and nitro-gen atoms. The extended structure displays O-H⋯O hydrogen bonding, as well as unusual short O⋯N inter-actions [2.775 (4) Å] between the nitro groups of adjacent clusters that are oriented perpendicular to each other. The scattering contribution of disordered water and methanol solvent mol-ecules was removed using the SQUEEZE procedure [Spek (2015 ▸). Acta Cryst. C71, 9-16] in PLATON [Spek (2009 ▸). Acta Cryst. D65, 148-155].

References

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Nov 15, 2016·Acta Crystallographica. Section E, Crystallographic Communications·Patrick J Quinlivan, Rita K Upmacis
May 17, 2018·Acta Crystallographica. Section E, Crystallographic Communications·Tyler K BresciaRita K Upmacis

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Methods Mentioned

BETA
X-ray

Software Mentioned

SQUEEZE
PLATON

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