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Crystal structure of hexa-?-chlorido-?4-oxido-tetra-kis-{[1-(2-hy-droxy-eth-yl)-2-methyl-5-nitro-1H-imidazole-?N 3]copper(II)} containing short NO2?NO2 contacts.

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].

SUBMITTER: Wu JS 

PROVIDER: S-EPMC6659319 | biostudies-literature | 2019 Jul

REPOSITORIES: biostudies-literature

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Crystal structure of hexa-μ-chlorido-μ<sub>4</sub>-oxido-tetra-kis-{[1-(2-hy-droxy-eth-yl)-2-methyl-5-nitro-1<i>H</i>-imidazole-κ<i>N</i> <sup>3</sup>]copper(II)} containing short NO<sub>2</sub>⋯NO<sub>2</sub> contacts.

Wu Ja-Shin JS   Shlian Daniel G DG   Palmer Joshua H JH   Upmacis Rita K RK  

Acta crystallographica. Section E, Crystallographic communications 20190625 Pt 7

The title tetra-nuclear copper complex, [Cu<sub>4</sub>Cl<sub>6</sub>O(C<sub>6</sub>H<sub>9</sub>N<sub>3</sub>O<sub>3</sub>)<sub>4</sub>] or [Cu<sub>4</sub>Cl<sub>6</sub>O-(MET)<sub>4</sub>] [MET is 1-(2-hy-droxy-eth-yl)-2-methyl-5-nitro-1<i>H</i>-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 <i>via</i> bridging chloride ions. A fifth coordination position on each metal atom  ...[more]

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