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Diaqua­bis­(4-bromo­benzoato-κO)bis­(nicotinamide-κN (1))copper(II)

The asymmetric unit of the title mononuclear Cu(II) complex, [Cu(C(7)H(4)BrO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], contains one half-mol­ecule, the Cu(II) atom being located on an inversion center. The unit cell contains two nicotinamide (NA), two 4-bromo­benzoate (PBB) ligands and two coordinated wa...

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Autores principales: Necefoğlu, Hacali, Özbek, Füreya Elif, Öztürk, Vijdan, Tercan, Barış, Hökelek, Tuncer
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151863/
https://www.ncbi.nlm.nih.gov/pubmed/21836889
http://dx.doi.org/10.1107/S1600536811021696
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author Necefoğlu, Hacali
Özbek, Füreya Elif
Öztürk, Vijdan
Tercan, Barış
Hökelek, Tuncer
author_facet Necefoğlu, Hacali
Özbek, Füreya Elif
Öztürk, Vijdan
Tercan, Barış
Hökelek, Tuncer
author_sort Necefoğlu, Hacali
collection PubMed
description The asymmetric unit of the title mononuclear Cu(II) complex, [Cu(C(7)H(4)BrO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], contains one half-mol­ecule, the Cu(II) atom being located on an inversion center. The unit cell contains two nicotinamide (NA), two 4-bromo­benzoate (PBB) ligands and two coordinated water mol­ecules. The four O atoms in the equatorial plane around the Cu(II) ion form a slightly distorted square-planar arrangement, while the slightly distorted octa­hedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl­ate group and the adjacent benzene ring is 22.17 (16)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 82.80 (6)°. In the crystal, N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional network. A weak C—H⋯π inter­action is also observed.
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spelling pubmed-31518632011-08-11 Diaqua­bis­(4-bromo­benzoato-κO)bis­(nicotinamide-κN (1))copper(II) Necefoğlu, Hacali Özbek, Füreya Elif Öztürk, Vijdan Tercan, Barış Hökelek, Tuncer Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The asymmetric unit of the title mononuclear Cu(II) complex, [Cu(C(7)H(4)BrO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], contains one half-mol­ecule, the Cu(II) atom being located on an inversion center. The unit cell contains two nicotinamide (NA), two 4-bromo­benzoate (PBB) ligands and two coordinated water mol­ecules. The four O atoms in the equatorial plane around the Cu(II) ion form a slightly distorted square-planar arrangement, while the slightly distorted octa­hedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl­ate group and the adjacent benzene ring is 22.17 (16)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 82.80 (6)°. In the crystal, N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional network. A weak C—H⋯π inter­action is also observed. International Union of Crystallography 2011-06-11 /pmc/articles/PMC3151863/ /pubmed/21836889 http://dx.doi.org/10.1107/S1600536811021696 Text en © Necefoğlu et al. 2011 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 Metal-Organic Papers
Necefoğlu, Hacali
Özbek, Füreya Elif
Öztürk, Vijdan
Tercan, Barış
Hökelek, Tuncer
Diaqua­bis­(4-bromo­benzoato-κO)bis­(nicotinamide-κN (1))copper(II)
title Diaqua­bis­(4-bromo­benzoato-κO)bis­(nicotinamide-κN (1))copper(II)
title_full Diaqua­bis­(4-bromo­benzoato-κO)bis­(nicotinamide-κN (1))copper(II)
title_fullStr Diaqua­bis­(4-bromo­benzoato-κO)bis­(nicotinamide-κN (1))copper(II)
title_full_unstemmed Diaqua­bis­(4-bromo­benzoato-κO)bis­(nicotinamide-κN (1))copper(II)
title_short Diaqua­bis­(4-bromo­benzoato-κO)bis­(nicotinamide-κN (1))copper(II)
title_sort diaqua­bis­(4-bromo­benzoato-κo)bis­(nicotinamide-κn (1))copper(ii)
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3151863/
https://www.ncbi.nlm.nih.gov/pubmed/21836889
http://dx.doi.org/10.1107/S1600536811021696
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