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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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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. |
format | Online Article Text |
id | pubmed-3151863 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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