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Crystal structure of catena-poly[[aqua­bis­(4-cyano­benzoato-κO)copper(II)]-μ-N,N-di­ethyl­nicotinamide-κ(2) N (1):O]

The asymmetric unit of the title polymeric compound, [Cu(C(8)H(4)NO(2))(2)(C(10)H(14)N(2)O)(H(2)O)](n), contains one Cu(II) atom, one coordinating water mol­ecule, two 4-cyano­benzoate (CB) ligands and one coordinating N,N-di­ethyl­nicotinamide (DENA) mol­ecule. The DENA ligand acts as a bis-monoden...

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Autores principales: Akduran, Nurcan, Necefoğlu, Hacali, Aydoğdu, Ömer, Hökelek, Tuncer
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4971868/
https://www.ncbi.nlm.nih.gov/pubmed/27536409
http://dx.doi.org/10.1107/S205698901601183X
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author Akduran, Nurcan
Necefoğlu, Hacali
Aydoğdu, Ömer
Hökelek, Tuncer
author_facet Akduran, Nurcan
Necefoğlu, Hacali
Aydoğdu, Ömer
Hökelek, Tuncer
author_sort Akduran, Nurcan
collection PubMed
description The asymmetric unit of the title polymeric compound, [Cu(C(8)H(4)NO(2))(2)(C(10)H(14)N(2)O)(H(2)O)](n), contains one Cu(II) atom, one coordinating water mol­ecule, two 4-cyano­benzoate (CB) ligands and one coordinating N,N-di­ethyl­nicotinamide (DENA) mol­ecule. The DENA ligand acts as a bis-monodentate ligand, while the CB anions are monodentate. Two O atoms of the CB ligands, one O atom of the water mol­ecule and the pyridine N atom of the DENA ligand form a slightly distorted square-planar arrangement around the Cu(II) atom which is completed to a square-pyramidal coordination by the apically placed O atom of the DENA ligand, with a Cu—O distance of 2.4303 (15) Å. In the two CB anions, the carboxyl­ate groups are twisted relative to the attached benzene rings by 2.19 (12) and 3.87 (15)°, while the benzene rings are oriented at a dihedral angle of 5.52 (8)°. The DENA ligands bridge adjacent Cu(2+) ions, forming polymeric coordination chains running along the b axis. In the crystal, strong water–carboxyl­ate O—H⋯O hydrogen bonds link adjacent chains into layers parallel to (10-1) and weak C—H⋯O hydrogen bonds further stabilize the crystal structure. The cyano group C and N atoms of one of the CB ligands are disordered over two sets of sites with equal occupancies.
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spelling pubmed-49718682016-08-17 Crystal structure of catena-poly[[aqua­bis­(4-cyano­benzoato-κO)copper(II)]-μ-N,N-di­ethyl­nicotinamide-κ(2) N (1):O] Akduran, Nurcan Necefoğlu, Hacali Aydoğdu, Ömer Hökelek, Tuncer Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the title polymeric compound, [Cu(C(8)H(4)NO(2))(2)(C(10)H(14)N(2)O)(H(2)O)](n), contains one Cu(II) atom, one coordinating water mol­ecule, two 4-cyano­benzoate (CB) ligands and one coordinating N,N-di­ethyl­nicotinamide (DENA) mol­ecule. The DENA ligand acts as a bis-monodentate ligand, while the CB anions are monodentate. Two O atoms of the CB ligands, one O atom of the water mol­ecule and the pyridine N atom of the DENA ligand form a slightly distorted square-planar arrangement around the Cu(II) atom which is completed to a square-pyramidal coordination by the apically placed O atom of the DENA ligand, with a Cu—O distance of 2.4303 (15) Å. In the two CB anions, the carboxyl­ate groups are twisted relative to the attached benzene rings by 2.19 (12) and 3.87 (15)°, while the benzene rings are oriented at a dihedral angle of 5.52 (8)°. The DENA ligands bridge adjacent Cu(2+) ions, forming polymeric coordination chains running along the b axis. In the crystal, strong water–carboxyl­ate O—H⋯O hydrogen bonds link adjacent chains into layers parallel to (10-1) and weak C—H⋯O hydrogen bonds further stabilize the crystal structure. The cyano group C and N atoms of one of the CB ligands are disordered over two sets of sites with equal occupancies. International Union of Crystallography 2016-07-22 /pmc/articles/PMC4971868/ /pubmed/27536409 http://dx.doi.org/10.1107/S205698901601183X Text en © Akduran et al. 2016 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
Akduran, Nurcan
Necefoğlu, Hacali
Aydoğdu, Ömer
Hökelek, Tuncer
Crystal structure of catena-poly[[aqua­bis­(4-cyano­benzoato-κO)copper(II)]-μ-N,N-di­ethyl­nicotinamide-κ(2) N (1):O]
title Crystal structure of catena-poly[[aqua­bis­(4-cyano­benzoato-κO)copper(II)]-μ-N,N-di­ethyl­nicotinamide-κ(2) N (1):O]
title_full Crystal structure of catena-poly[[aqua­bis­(4-cyano­benzoato-κO)copper(II)]-μ-N,N-di­ethyl­nicotinamide-κ(2) N (1):O]
title_fullStr Crystal structure of catena-poly[[aqua­bis­(4-cyano­benzoato-κO)copper(II)]-μ-N,N-di­ethyl­nicotinamide-κ(2) N (1):O]
title_full_unstemmed Crystal structure of catena-poly[[aqua­bis­(4-cyano­benzoato-κO)copper(II)]-μ-N,N-di­ethyl­nicotinamide-κ(2) N (1):O]
title_short Crystal structure of catena-poly[[aqua­bis­(4-cyano­benzoato-κO)copper(II)]-μ-N,N-di­ethyl­nicotinamide-κ(2) N (1):O]
title_sort crystal structure of catena-poly[[aqua­bis­(4-cyano­benzoato-κo)copper(ii)]-μ-n,n-di­ethyl­nicotinamide-κ(2) n (1):o]
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4971868/
https://www.ncbi.nlm.nih.gov/pubmed/27536409
http://dx.doi.org/10.1107/S205698901601183X
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