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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2016
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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. |
format | Online Article Text |
id | pubmed-4971868 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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