Cargando…

Crystal structure of tetra­kis­(μ(3)-2-{[1,1-bis­(hy­droxy­meth­yl)-2-oxidoeth­yl]imino­meth­yl}-6-meth­oxy­phenolato)tetra­kis­[aqua­copper(II)]: a redetermination at 200 K

The crystal structure of the tetra­nuclear title compound, [Cu(4)(C(12)H(15)NO(5))(4)(H(2)O)(4)], has been previously reported by Back, Oliveira, Canabarro & Iglesias [Z. Anorg. Allg. Chem. (2015), 641, 941–947], based on room-temperature data. In the previously published structure, no standard...

Descripción completa

Detalles Bibliográficos
Autores principales: Buvaylo, Elena A., Vassilyeva, Olga Yu., Skelton, Brian W.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647398/
https://www.ncbi.nlm.nih.gov/pubmed/26594407
http://dx.doi.org/10.1107/S2056989015017314
_version_ 1782401090033025024
author Buvaylo, Elena A.
Vassilyeva, Olga Yu.
Skelton, Brian W.
author_facet Buvaylo, Elena A.
Vassilyeva, Olga Yu.
Skelton, Brian W.
author_sort Buvaylo, Elena A.
collection PubMed
description The crystal structure of the tetra­nuclear title compound, [Cu(4)(C(12)H(15)NO(5))(4)(H(2)O)(4)], has been previously reported by Back, Oliveira, Canabarro & Iglesias [Z. Anorg. Allg. Chem. (2015), 641, 941–947], based on room-temperature data. In the previously published structure, no standard uncertainties are recorded for the deprotonated hy­droxy­methyl group and water mol­ecule O atoms coordinating to the metal atom indicating that they were not refined; furthermore, the H atoms of some OH groups and water mol­ecules have not been positioned accurately. Since the current structure was determined at a lower temperature, all atoms, including the H atoms of these hy­droxy groups and the water mol­ecule, have been determined more accurately resulting in improved standard uncertainties in the bond lengths and angles. Diffraction data were collected at 200 K, rather than the more usual 100 K, due to apparent disordering at lower temperatures. In addition, it is now possible to report intra- and inter­molecular O—H⋯O inter­actions. In the title complex molecule, which has crystallographic -4 symmetry, the Cu(II) ions are coordinated by the tridentate Schiff base ligands and water mol­ecules, forming a tetra­nuclear Cu(4)O(4) cubane-like core. The Cu(II) ion adopts a CuNO(5) elongated octa­hedral environment. The coordination environment of Cu(II) at 200 K displays a small contraction of the Cu—N/O bonds, compared with the room-temperature structure. In the crystal lattice, the neutral clusters are linked by inter­molecular O—H⋯O hydrogen bonds into a one-dimensional hydrogen-bonding network propagating along the b axis.
format Online
Article
Text
id pubmed-4647398
institution National Center for Biotechnology Information
language English
publishDate 2015
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-46473982015-11-20 Crystal structure of tetra­kis­(μ(3)-2-{[1,1-bis­(hy­droxy­meth­yl)-2-oxidoeth­yl]imino­meth­yl}-6-meth­oxy­phenolato)tetra­kis­[aqua­copper(II)]: a redetermination at 200 K Buvaylo, Elena A. Vassilyeva, Olga Yu. Skelton, Brian W. Acta Crystallogr E Crystallogr Commun Research Communications The crystal structure of the tetra­nuclear title compound, [Cu(4)(C(12)H(15)NO(5))(4)(H(2)O)(4)], has been previously reported by Back, Oliveira, Canabarro & Iglesias [Z. Anorg. Allg. Chem. (2015), 641, 941–947], based on room-temperature data. In the previously published structure, no standard uncertainties are recorded for the deprotonated hy­droxy­methyl group and water mol­ecule O atoms coordinating to the metal atom indicating that they were not refined; furthermore, the H atoms of some OH groups and water mol­ecules have not been positioned accurately. Since the current structure was determined at a lower temperature, all atoms, including the H atoms of these hy­droxy groups and the water mol­ecule, have been determined more accurately resulting in improved standard uncertainties in the bond lengths and angles. Diffraction data were collected at 200 K, rather than the more usual 100 K, due to apparent disordering at lower temperatures. In addition, it is now possible to report intra- and inter­molecular O—H⋯O inter­actions. In the title complex molecule, which has crystallographic -4 symmetry, the Cu(II) ions are coordinated by the tridentate Schiff base ligands and water mol­ecules, forming a tetra­nuclear Cu(4)O(4) cubane-like core. The Cu(II) ion adopts a CuNO(5) elongated octa­hedral environment. The coordination environment of Cu(II) at 200 K displays a small contraction of the Cu—N/O bonds, compared with the room-temperature structure. In the crystal lattice, the neutral clusters are linked by inter­molecular O—H⋯O hydrogen bonds into a one-dimensional hydrogen-bonding network propagating along the b axis. International Union of Crystallography 2015-09-26 /pmc/articles/PMC4647398/ /pubmed/26594407 http://dx.doi.org/10.1107/S2056989015017314 Text en © Buvaylo et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Buvaylo, Elena A.
Vassilyeva, Olga Yu.
Skelton, Brian W.
Crystal structure of tetra­kis­(μ(3)-2-{[1,1-bis­(hy­droxy­meth­yl)-2-oxidoeth­yl]imino­meth­yl}-6-meth­oxy­phenolato)tetra­kis­[aqua­copper(II)]: a redetermination at 200 K
title Crystal structure of tetra­kis­(μ(3)-2-{[1,1-bis­(hy­droxy­meth­yl)-2-oxidoeth­yl]imino­meth­yl}-6-meth­oxy­phenolato)tetra­kis­[aqua­copper(II)]: a redetermination at 200 K
title_full Crystal structure of tetra­kis­(μ(3)-2-{[1,1-bis­(hy­droxy­meth­yl)-2-oxidoeth­yl]imino­meth­yl}-6-meth­oxy­phenolato)tetra­kis­[aqua­copper(II)]: a redetermination at 200 K
title_fullStr Crystal structure of tetra­kis­(μ(3)-2-{[1,1-bis­(hy­droxy­meth­yl)-2-oxidoeth­yl]imino­meth­yl}-6-meth­oxy­phenolato)tetra­kis­[aqua­copper(II)]: a redetermination at 200 K
title_full_unstemmed Crystal structure of tetra­kis­(μ(3)-2-{[1,1-bis­(hy­droxy­meth­yl)-2-oxidoeth­yl]imino­meth­yl}-6-meth­oxy­phenolato)tetra­kis­[aqua­copper(II)]: a redetermination at 200 K
title_short Crystal structure of tetra­kis­(μ(3)-2-{[1,1-bis­(hy­droxy­meth­yl)-2-oxidoeth­yl]imino­meth­yl}-6-meth­oxy­phenolato)tetra­kis­[aqua­copper(II)]: a redetermination at 200 K
title_sort crystal structure of tetra­kis­(μ(3)-2-{[1,1-bis­(hy­droxy­meth­yl)-2-oxidoeth­yl]imino­meth­yl}-6-meth­oxy­phenolato)tetra­kis­[aqua­copper(ii)]: a redetermination at 200 k
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647398/
https://www.ncbi.nlm.nih.gov/pubmed/26594407
http://dx.doi.org/10.1107/S2056989015017314
work_keys_str_mv AT buvayloelenaa crystalstructureoftetrakism3211bishydroxymethyl2oxidoethyliminomethyl6methoxyphenolatotetrakisaquacopperiiaredeterminationat200k
AT vassilyevaolgayu crystalstructureoftetrakism3211bishydroxymethyl2oxidoethyliminomethyl6methoxyphenolatotetrakisaquacopperiiaredeterminationat200k
AT skeltonbrianw crystalstructureoftetrakism3211bishydroxymethyl2oxidoethyliminomethyl6methoxyphenolatotetrakisaquacopperiiaredeterminationat200k