Cargando…
trans-Tetraaquabis(isonicotinamide-κN (1))zinc bis(3-hydroxybenzoate) tetrahydrate
The asymmetric unit of the title compound, [Zn(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(7)H(5)O(3))(2)·4H(2)O, contains half of the complex cation with the Zn(II) ion located on an inversion center, a 3-hydroxybenzoate counter-anion and two uncoordinating water molecules. Four water O atoms in the equatori...
Autores principales: | , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629480/ https://www.ncbi.nlm.nih.gov/pubmed/23633998 http://dx.doi.org/10.1107/S1600536813006466 |
_version_ | 1782266587801190400 |
---|---|
author | Zaman, Ibrahim Göker Çaylak Delibaş, Nagihan Necefoğlu, Hacali Hökelek, Tuncer |
author_facet | Zaman, Ibrahim Göker Çaylak Delibaş, Nagihan Necefoğlu, Hacali Hökelek, Tuncer |
author_sort | Zaman, Ibrahim Göker |
collection | PubMed |
description | The asymmetric unit of the title compound, [Zn(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(7)H(5)O(3))(2)·4H(2)O, contains half of the complex cation with the Zn(II) ion located on an inversion center, a 3-hydroxybenzoate counter-anion and two uncoordinating water molecules. Four water O atoms in the equatorial plane around the Zn(II) ion [Zn—O = 2.089 (2) and 2.128 (2) Å] form a slightly distorted square-planar arrangement and the distorted octahedral geometry is completed by the two N atoms [Zn—N = 2.117 (2) Å] from two isonicotinamide ligands. In the anion, the carboxylate group is twisted from the attached benzene ring at 9.0 (2)°. In the crystal, a three-dimensional hydrogen-bonding network, formed by classical O—H⋯O and N—H⋯O and weak C—H⋯O hydrogen bonds, consolidates the crystal packing, which exhibits π–π stacking between the benzene and pyridine rings, with centroid–centroid distances of 3.458 (2) and 3.609 (2) Å. One of the two H atoms of each uncoordinating water molecule is disordered over two orientations with an occupancy ratio of 0.60:0.40. |
format | Online Article Text |
id | pubmed-3629480 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-36294802013-04-30 trans-Tetraaquabis(isonicotinamide-κN (1))zinc bis(3-hydroxybenzoate) tetrahydrate Zaman, Ibrahim Göker Çaylak Delibaş, Nagihan Necefoğlu, Hacali Hökelek, Tuncer Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The asymmetric unit of the title compound, [Zn(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(7)H(5)O(3))(2)·4H(2)O, contains half of the complex cation with the Zn(II) ion located on an inversion center, a 3-hydroxybenzoate counter-anion and two uncoordinating water molecules. Four water O atoms in the equatorial plane around the Zn(II) ion [Zn—O = 2.089 (2) and 2.128 (2) Å] form a slightly distorted square-planar arrangement and the distorted octahedral geometry is completed by the two N atoms [Zn—N = 2.117 (2) Å] from two isonicotinamide ligands. In the anion, the carboxylate group is twisted from the attached benzene ring at 9.0 (2)°. In the crystal, a three-dimensional hydrogen-bonding network, formed by classical O—H⋯O and N—H⋯O and weak C—H⋯O hydrogen bonds, consolidates the crystal packing, which exhibits π–π stacking between the benzene and pyridine rings, with centroid–centroid distances of 3.458 (2) and 3.609 (2) Å. One of the two H atoms of each uncoordinating water molecule is disordered over two orientations with an occupancy ratio of 0.60:0.40. International Union of Crystallography 2013-03-13 /pmc/articles/PMC3629480/ /pubmed/23633998 http://dx.doi.org/10.1107/S1600536813006466 Text en © Zaman et al. 2013 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 Zaman, Ibrahim Göker Çaylak Delibaş, Nagihan Necefoğlu, Hacali Hökelek, Tuncer trans-Tetraaquabis(isonicotinamide-κN (1))zinc bis(3-hydroxybenzoate) tetrahydrate |
title |
trans-Tetraaquabis(isonicotinamide-κN
(1))zinc bis(3-hydroxybenzoate) tetrahydrate |
title_full |
trans-Tetraaquabis(isonicotinamide-κN
(1))zinc bis(3-hydroxybenzoate) tetrahydrate |
title_fullStr |
trans-Tetraaquabis(isonicotinamide-κN
(1))zinc bis(3-hydroxybenzoate) tetrahydrate |
title_full_unstemmed |
trans-Tetraaquabis(isonicotinamide-κN
(1))zinc bis(3-hydroxybenzoate) tetrahydrate |
title_short |
trans-Tetraaquabis(isonicotinamide-κN
(1))zinc bis(3-hydroxybenzoate) tetrahydrate |
title_sort | trans-tetraaquabis(isonicotinamide-κn
(1))zinc bis(3-hydroxybenzoate) tetrahydrate |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629480/ https://www.ncbi.nlm.nih.gov/pubmed/23633998 http://dx.doi.org/10.1107/S1600536813006466 |
work_keys_str_mv | AT zamanibrahimgoker transtetraaquabisisonicotinamidekn1zincbis3hydroxybenzoatetetrahydrate AT caylakdelibasnagihan transtetraaquabisisonicotinamidekn1zincbis3hydroxybenzoatetetrahydrate AT necefogluhacali transtetraaquabisisonicotinamidekn1zincbis3hydroxybenzoatetetrahydrate AT hokelektuncer transtetraaquabisisonicotinamidekn1zincbis3hydroxybenzoatetetrahydrate |