Cargando…
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...
Autores principales: | , , , |
---|---|
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 |
_version_ | 1783439113597222912 |
---|---|
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]. |
format | Online Article Text |
id | pubmed-6659319 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT wujashin crystalstructureofhexamchloridom4oxidotetrakis12hydroxyethyl2methyl5nitro1himidazolekn3copperiicontainingshortno2no2contacts AT shliandanielg crystalstructureofhexamchloridom4oxidotetrakis12hydroxyethyl2methyl5nitro1himidazolekn3copperiicontainingshortno2no2contacts AT palmerjoshuah crystalstructureofhexamchloridom4oxidotetrakis12hydroxyethyl2methyl5nitro1himidazolekn3copperiicontainingshortno2no2contacts AT upmacisritak crystalstructureofhexamchloridom4oxidotetrakis12hydroxyethyl2methyl5nitro1himidazolekn3copperiicontainingshortno2no2contacts |