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Tetraaquabis(isonicotinamide-κN (1))nickel(II) bis(4-formylbenzoate) dihydrate
The asymmetric unit of the title complex, [Ni(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(8)H(5)O(3))(2)·2H(2)O, contains one-half of the complex cation with the Ni(II) atom located on an inversion center, a 4-formylbenzoate (FB) counter-anion and an uncoordinated water molecule. The four O atoms in the equato...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970033/ https://www.ncbi.nlm.nih.gov/pubmed/21577450 http://dx.doi.org/10.1107/S1600536809032279 |
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author | Hökelek, Tuncer Yılmaz, Filiz Tercan, Barış Gürgen, Ferdi Necefoğlu, Hacali |
author_facet | Hökelek, Tuncer Yılmaz, Filiz Tercan, Barış Gürgen, Ferdi Necefoğlu, Hacali |
author_sort | Hökelek, Tuncer |
collection | PubMed |
description | The asymmetric unit of the title complex, [Ni(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(8)H(5)O(3))(2)·2H(2)O, contains one-half of the complex cation with the Ni(II) atom located on an inversion center, a 4-formylbenzoate (FB) counter-anion and an uncoordinated water molecule. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement and the slightly distorted octahedral coordination is completed by the two N atoms of the isonicotinamide (INA) ligands at a sligthly longer distance in the axial positions. The dihedral angle between the carboxylate group and the attached benzene ring is 8.14 (11)°, while the pyridine and benzene rings are oriented at a dihedral angle of 3.46 (6)°. In the crystal structure, O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds link the molecules into a three-dimensional network. π–π Contacts between the benzene and pyridine rings [centroid–centroid distance = 3.751 (1) Å] may further stabilize the crystal structure. |
format | Text |
id | pubmed-2970033 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29700332010-12-30 Tetraaquabis(isonicotinamide-κN (1))nickel(II) bis(4-formylbenzoate) dihydrate Hökelek, Tuncer Yılmaz, Filiz Tercan, Barış Gürgen, Ferdi Necefoğlu, Hacali Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The asymmetric unit of the title complex, [Ni(C(6)H(6)N(2)O)(2)(H(2)O)(4)](C(8)H(5)O(3))(2)·2H(2)O, contains one-half of the complex cation with the Ni(II) atom located on an inversion center, a 4-formylbenzoate (FB) counter-anion and an uncoordinated water molecule. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement and the slightly distorted octahedral coordination is completed by the two N atoms of the isonicotinamide (INA) ligands at a sligthly longer distance in the axial positions. The dihedral angle between the carboxylate group and the attached benzene ring is 8.14 (11)°, while the pyridine and benzene rings are oriented at a dihedral angle of 3.46 (6)°. In the crystal structure, O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds link the molecules into a three-dimensional network. π–π Contacts between the benzene and pyridine rings [centroid–centroid distance = 3.751 (1) Å] may further stabilize the crystal structure. International Union of Crystallography 2009-08-19 /pmc/articles/PMC2970033/ /pubmed/21577450 http://dx.doi.org/10.1107/S1600536809032279 Text en © Hökelek et al. 2009 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 Hökelek, Tuncer Yılmaz, Filiz Tercan, Barış Gürgen, Ferdi Necefoğlu, Hacali Tetraaquabis(isonicotinamide-κN (1))nickel(II) bis(4-formylbenzoate) dihydrate |
title | Tetraaquabis(isonicotinamide-κN
(1))nickel(II) bis(4-formylbenzoate) dihydrate |
title_full | Tetraaquabis(isonicotinamide-κN
(1))nickel(II) bis(4-formylbenzoate) dihydrate |
title_fullStr | Tetraaquabis(isonicotinamide-κN
(1))nickel(II) bis(4-formylbenzoate) dihydrate |
title_full_unstemmed | Tetraaquabis(isonicotinamide-κN
(1))nickel(II) bis(4-formylbenzoate) dihydrate |
title_short | Tetraaquabis(isonicotinamide-κN
(1))nickel(II) bis(4-formylbenzoate) dihydrate |
title_sort | tetraaquabis(isonicotinamide-κn
(1))nickel(ii) bis(4-formylbenzoate) dihydrate |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970033/ https://www.ncbi.nlm.nih.gov/pubmed/21577450 http://dx.doi.org/10.1107/S1600536809032279 |
work_keys_str_mv | AT hokelektuncer tetraaquabisisonicotinamidekn1nickeliibis4formylbenzoatedihydrate AT yılmazfiliz tetraaquabisisonicotinamidekn1nickeliibis4formylbenzoatedihydrate AT tercanbarıs tetraaquabisisonicotinamidekn1nickeliibis4formylbenzoatedihydrate AT gurgenferdi tetraaquabisisonicotinamidekn1nickeliibis4formylbenzoatedihydrate AT necefogluhacali tetraaquabisisonicotinamidekn1nickeliibis4formylbenzoatedihydrate |