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Crystal structure of trans-diaquabis(4-cyanobenzoato-κO)bis(N,N-diethylnicotinamide-κN)cadmium
The mononuclear title cadmium complex, [Cd(C(10)H(14)N(2)O)(2)(C(8)H(4)NO(2))(2)(H(2)O)(2)], is centrosymmetric and contains two water molecules, two 4-cyanobenzoate (CB) ligands and two diethylnicotinamide (DENA) ligands. All the ligands are coordinated to the Cd(II) atom in a monodentate mode....
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5137619/ https://www.ncbi.nlm.nih.gov/pubmed/27980841 http://dx.doi.org/10.1107/S2056989016018247 |
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author | Akduran, Nurcan Sertçelik, Mustafa Aydoğdu, Ömer Necefoğlu, Hacali Hökelek, Tuncer |
author_facet | Akduran, Nurcan Sertçelik, Mustafa Aydoğdu, Ömer Necefoğlu, Hacali Hökelek, Tuncer |
author_sort | Akduran, Nurcan |
collection | PubMed |
description | The mononuclear title cadmium complex, [Cd(C(10)H(14)N(2)O)(2)(C(8)H(4)NO(2))(2)(H(2)O)(2)], is centrosymmetric and contains two water molecules, two 4-cyanobenzoate (CB) ligands and two diethylnicotinamide (DENA) ligands. All the ligands are coordinated to the Cd(II) atom in a monodentate mode. The four nearest O atoms around the Cd(II) atom form a slightly distorted square-planar arrangement, with the distorted octahedral coordination sphere being completed by the two pyridine N atoms of the DENA ligands at distances of 2.3336 (13) Å. The dihedral angle between the carboxylate group and the adjacent benzene ring is 8.75 (16)°, while the benzene and pyridine rings are oriented at a dihedral angle of 57.83 (5)°. The water molecules exhibit both intramolecular [to the non-coordinating carboxylate O atom, enclosing an S(6) hydrogen-bonding motif, where O⋯O = 2.670 (2) Å] and intermolecular [to the amide carbonyl O atom, enclosing an R (2) (2)(16) ring motif, where O⋯O = 2.781 (2) Å] O—H⋯O hydrogen bonds. The latter lead to the formation of supramolecular chains propagating along [110]. |
format | Online Article Text |
id | pubmed-5137619 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-51376192016-12-15 Crystal structure of trans-diaquabis(4-cyanobenzoato-κO)bis(N,N-diethylnicotinamide-κN)cadmium Akduran, Nurcan Sertçelik, Mustafa Aydoğdu, Ömer Necefoğlu, Hacali Hökelek, Tuncer Acta Crystallogr E Crystallogr Commun Research Communications The mononuclear title cadmium complex, [Cd(C(10)H(14)N(2)O)(2)(C(8)H(4)NO(2))(2)(H(2)O)(2)], is centrosymmetric and contains two water molecules, two 4-cyanobenzoate (CB) ligands and two diethylnicotinamide (DENA) ligands. All the ligands are coordinated to the Cd(II) atom in a monodentate mode. The four nearest O atoms around the Cd(II) atom form a slightly distorted square-planar arrangement, with the distorted octahedral coordination sphere being completed by the two pyridine N atoms of the DENA ligands at distances of 2.3336 (13) Å. The dihedral angle between the carboxylate group and the adjacent benzene ring is 8.75 (16)°, while the benzene and pyridine rings are oriented at a dihedral angle of 57.83 (5)°. The water molecules exhibit both intramolecular [to the non-coordinating carboxylate O atom, enclosing an S(6) hydrogen-bonding motif, where O⋯O = 2.670 (2) Å] and intermolecular [to the amide carbonyl O atom, enclosing an R (2) (2)(16) ring motif, where O⋯O = 2.781 (2) Å] O—H⋯O hydrogen bonds. The latter lead to the formation of supramolecular chains propagating along [110]. International Union of Crystallography 2016-11-18 /pmc/articles/PMC5137619/ /pubmed/27980841 http://dx.doi.org/10.1107/S2056989016018247 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 Sertçelik, Mustafa Aydoğdu, Ömer Necefoğlu, Hacali Hökelek, Tuncer Crystal structure of trans-diaquabis(4-cyanobenzoato-κO)bis(N,N-diethylnicotinamide-κN)cadmium |
title | Crystal structure of trans-diaquabis(4-cyanobenzoato-κO)bis(N,N-diethylnicotinamide-κN)cadmium |
title_full | Crystal structure of trans-diaquabis(4-cyanobenzoato-κO)bis(N,N-diethylnicotinamide-κN)cadmium |
title_fullStr | Crystal structure of trans-diaquabis(4-cyanobenzoato-κO)bis(N,N-diethylnicotinamide-κN)cadmium |
title_full_unstemmed | Crystal structure of trans-diaquabis(4-cyanobenzoato-κO)bis(N,N-diethylnicotinamide-κN)cadmium |
title_short | Crystal structure of trans-diaquabis(4-cyanobenzoato-κO)bis(N,N-diethylnicotinamide-κN)cadmium |
title_sort | crystal structure of trans-diaquabis(4-cyanobenzoato-κo)bis(n,n-diethylnicotinamide-κn)cadmium |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5137619/ https://www.ncbi.nlm.nih.gov/pubmed/27980841 http://dx.doi.org/10.1107/S2056989016018247 |
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