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Crystal structure of hexa-μ-chlorido-μ(4)-oxido-tetra­kis­{[1-(2-hy­droxy­eth­yl)-2-methyl-5-nitro-1H-imidazole-κN (3)]copper(II)} containing short NO(2)⋯NO(2) contacts

The title tetra­nuclear copper complex, [Cu(4)Cl(6)O(C(6)H(9)N(3)O(3))(4)] or [Cu(4)Cl(6)O­(MET)(4)] [MET is 1-(2-hy­droxy­eth­yl)-2-methyl-5-nitro-1H-imidazole or metronidazole], contains a tetra­hedral arrangement of copper(II) ions. Each copper atom is also linked to the other three copper atoms...

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Detalles Bibliográficos
Autores principales: Wu, Ja-Shin, Shlian, Daniel G., Palmer, Joshua H., Upmacis, Rita K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6659319/
https://www.ncbi.nlm.nih.gov/pubmed/31392024
http://dx.doi.org/10.1107/S2056989019008570
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author Wu, Ja-Shin
Shlian, Daniel G.
Palmer, Joshua H.
Upmacis, Rita K.
author_facet Wu, Ja-Shin
Shlian, Daniel G.
Palmer, Joshua H.
Upmacis, Rita K.
author_sort Wu, Ja-Shin
collection PubMed
description The title tetra­nuclear copper complex, [Cu(4)Cl(6)O(C(6)H(9)N(3)O(3))(4)] or [Cu(4)Cl(6)O­(MET)(4)] [MET is 1-(2-hy­droxy­eth­yl)-2-methyl-5-nitro-1H-imidazole or metronidazole], contains a tetra­hedral arrangement of copper(II) ions. Each copper atom is also linked to the other three copper atoms in the tetra­hedron via bridging chloride ions. A fifth coordination position on each metal atom is occupied by a nitro­gen atom of the monodentate MET ligand. The result is a distorted CuCl(3)NO trigonal–bipyramidal coordination polyhedron with the axial positions occupied by oxygen and nitro­gen atoms. The extended structure displays O—H⋯O hydrogen bonding, as well as unusual short O⋯N inter­actions [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 mol­ecules was removed using the SQUEEZE procedure [Spek (2015 ▸). Acta Cryst. C71, 9–16] in PLATON [Spek (2009 ▸). Acta Cryst. D65, 148–155].
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spelling pubmed-66593192019-08-07 Crystal structure of hexa-μ-chlorido-μ(4)-oxido-tetra­kis­{[1-(2-hy­droxy­eth­yl)-2-methyl-5-nitro-1H-imidazole-κN (3)]copper(II)} containing short NO(2)⋯NO(2) contacts Wu, Ja-Shin Shlian, Daniel G. Palmer, Joshua H. Upmacis, Rita K. Acta Crystallogr E Crystallogr Commun Research Communications The title tetra­nuclear copper complex, [Cu(4)Cl(6)O(C(6)H(9)N(3)O(3))(4)] or [Cu(4)Cl(6)O­(MET)(4)] [MET is 1-(2-hy­droxy­eth­yl)-2-methyl-5-nitro-1H-imidazole or metronidazole], contains a tetra­hedral arrangement of copper(II) ions. Each copper atom is also linked to the other three copper atoms in the tetra­hedron via bridging chloride ions. A fifth coordination position on each metal atom is occupied by a nitro­gen atom of the monodentate MET ligand. The result is a distorted CuCl(3)NO trigonal–bipyramidal coordination polyhedron with the axial positions occupied by oxygen and nitro­gen atoms. The extended structure displays O—H⋯O hydrogen bonding, as well as unusual short O⋯N inter­actions [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 mol­ecules was removed using the SQUEEZE procedure [Spek (2015 ▸). Acta Cryst. C71, 9–16] in PLATON [Spek (2009 ▸). Acta Cryst. D65, 148–155]. International Union of Crystallography 2019-06-25 /pmc/articles/PMC6659319/ /pubmed/31392024 http://dx.doi.org/10.1107/S2056989019008570 Text en © Wu et al. 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Wu, Ja-Shin
Shlian, Daniel G.
Palmer, Joshua H.
Upmacis, Rita K.
Crystal structure of hexa-μ-chlorido-μ(4)-oxido-tetra­kis­{[1-(2-hy­droxy­eth­yl)-2-methyl-5-nitro-1H-imidazole-κN (3)]copper(II)} containing short NO(2)⋯NO(2) contacts
title Crystal structure of hexa-μ-chlorido-μ(4)-oxido-tetra­kis­{[1-(2-hy­droxy­eth­yl)-2-methyl-5-nitro-1H-imidazole-κN (3)]copper(II)} containing short NO(2)⋯NO(2) contacts
title_full Crystal structure of hexa-μ-chlorido-μ(4)-oxido-tetra­kis­{[1-(2-hy­droxy­eth­yl)-2-methyl-5-nitro-1H-imidazole-κN (3)]copper(II)} containing short NO(2)⋯NO(2) contacts
title_fullStr Crystal structure of hexa-μ-chlorido-μ(4)-oxido-tetra­kis­{[1-(2-hy­droxy­eth­yl)-2-methyl-5-nitro-1H-imidazole-κN (3)]copper(II)} containing short NO(2)⋯NO(2) contacts
title_full_unstemmed Crystal structure of hexa-μ-chlorido-μ(4)-oxido-tetra­kis­{[1-(2-hy­droxy­eth­yl)-2-methyl-5-nitro-1H-imidazole-κN (3)]copper(II)} containing short NO(2)⋯NO(2) contacts
title_short Crystal structure of hexa-μ-chlorido-μ(4)-oxido-tetra­kis­{[1-(2-hy­droxy­eth­yl)-2-methyl-5-nitro-1H-imidazole-κN (3)]copper(II)} containing short NO(2)⋯NO(2) contacts
title_sort crystal structure of hexa-μ-chlorido-μ(4)-oxido-tetra­kis­{[1-(2-hy­droxy­eth­yl)-2-methyl-5-nitro-1h-imidazole-κn (3)]copper(ii)} containing short no(2)⋯no(2) contacts
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6659319/
https://www.ncbi.nlm.nih.gov/pubmed/31392024
http://dx.doi.org/10.1107/S2056989019008570
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