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Crystal structure of trans-diaquabis(4-cyanobenzoato-κO)bis(N,N-diethylnicotinamide-κN)zinc(II)
In the title complex, [Zn(C(8)H(4)NO(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Zn(II) cation, located on an inversion centre, is coordinated by two water molecules, two 4-cyanobenzoate (CB) anions and two diethylnicotinamide (DENA) ligands in a distorted N(2)O(4) octahedral geometry. In the mo...
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/PMC5050756/ https://www.ncbi.nlm.nih.gov/pubmed/27746921 http://dx.doi.org/10.1107/S2056989016013815 |
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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 | In the title complex, [Zn(C(8)H(4)NO(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Zn(II) cation, located on an inversion centre, is coordinated by two water molecules, two 4-cyanobenzoate (CB) anions and two diethylnicotinamide (DENA) ligands in a distorted N(2)O(4) octahedral geometry. In the molecule, the dihedral angle between the planar carboxylate group and the adjacent benzene ring is 9.50 (14)°, while the benzene and pyridine rings are oriented at a dihedral angle of 56.99 (5)°. The water molecules exhibit both an intramolecular hydrogen bond [to the non-coordinating carboxylate O atom, enclosing an S(6) hydrogen-bonding motif, where O⋯O = 2.6419 (19) Å] and an intermolecular hydrogen bond [to the amide carbonyl O atom, enclosing an R (2) (2)(16) ring motif, where O⋯O = 2.827 (2) Å]; the latter lead to the formation of supramolecular chains propagating along the [110] direction. |
format | Online Article Text |
id | pubmed-5050756 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-50507562016-10-14 Crystal structure of trans-diaquabis(4-cyanobenzoato-κO)bis(N,N-diethylnicotinamide-κN)zinc(II) Akduran, Nurcan Necefoğlu, Hacali Aydoğdu, Ömer Hökelek, Tuncer Acta Crystallogr E Crystallogr Commun Research Communications In the title complex, [Zn(C(8)H(4)NO(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Zn(II) cation, located on an inversion centre, is coordinated by two water molecules, two 4-cyanobenzoate (CB) anions and two diethylnicotinamide (DENA) ligands in a distorted N(2)O(4) octahedral geometry. In the molecule, the dihedral angle between the planar carboxylate group and the adjacent benzene ring is 9.50 (14)°, while the benzene and pyridine rings are oriented at a dihedral angle of 56.99 (5)°. The water molecules exhibit both an intramolecular hydrogen bond [to the non-coordinating carboxylate O atom, enclosing an S(6) hydrogen-bonding motif, where O⋯O = 2.6419 (19) Å] and an intermolecular hydrogen bond [to the amide carbonyl O atom, enclosing an R (2) (2)(16) ring motif, where O⋯O = 2.827 (2) Å]; the latter lead to the formation of supramolecular chains propagating along the [110] direction. International Union of Crystallography 2016-09-05 /pmc/articles/PMC5050756/ /pubmed/27746921 http://dx.doi.org/10.1107/S2056989016013815 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 trans-diaquabis(4-cyanobenzoato-κO)bis(N,N-diethylnicotinamide-κN)zinc(II) |
title | Crystal structure of trans-diaquabis(4-cyanobenzoato-κO)bis(N,N-diethylnicotinamide-κN)zinc(II) |
title_full | Crystal structure of trans-diaquabis(4-cyanobenzoato-κO)bis(N,N-diethylnicotinamide-κN)zinc(II) |
title_fullStr | Crystal structure of trans-diaquabis(4-cyanobenzoato-κO)bis(N,N-diethylnicotinamide-κN)zinc(II) |
title_full_unstemmed | Crystal structure of trans-diaquabis(4-cyanobenzoato-κO)bis(N,N-diethylnicotinamide-κN)zinc(II) |
title_short | Crystal structure of trans-diaquabis(4-cyanobenzoato-κO)bis(N,N-diethylnicotinamide-κN)zinc(II) |
title_sort | crystal structure of trans-diaquabis(4-cyanobenzoato-κo)bis(n,n-diethylnicotinamide-κn)zinc(ii) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5050756/ https://www.ncbi.nlm.nih.gov/pubmed/27746921 http://dx.doi.org/10.1107/S2056989016013815 |
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