Cargando…
Bis(μ-2-fluorobenzoato-1:2κ(2) O:O′)(2-fluorobenzoato-1κ(2) O,O′)(2-fluorobenzoato-2κO)dinicotinamide-1κN (1),2κN (1)-dizinc(II)–2-fluorobenzoic acid (1/1)
The asymmetric unit of the title compound, [Zn(2)(C(7)H(4)FO(2))(4)(C(6)H(6)N(2)O)(2)]·C(7)H(5)FO(2), consists of a binuclear Zn(II) complex bridged by two carboxyl groups of 2-fluorobenzoate (FB) anions and a 2-fluorobenzoic acid molecule. The two bridging FB anions, one chelating FB anion and o...
Autores principales: | , , , , |
---|---|
Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971791/ https://www.ncbi.nlm.nih.gov/pubmed/21578633 http://dx.doi.org/10.1107/S1600536809048089 |
_version_ | 1782190670133329920 |
---|---|
author | Hökelek, Tuncer Yılmaz, Filiz Tercan, Barış Özbek, F. Elif Necefoğlu, Hacali |
author_facet | Hökelek, Tuncer Yılmaz, Filiz Tercan, Barış Özbek, F. Elif Necefoğlu, Hacali |
author_sort | Hökelek, Tuncer |
collection | PubMed |
description | The asymmetric unit of the title compound, [Zn(2)(C(7)H(4)FO(2))(4)(C(6)H(6)N(2)O)(2)]·C(7)H(5)FO(2), consists of a binuclear Zn(II) complex bridged by two carboxyl groups of 2-fluorobenzoate (FB) anions and a 2-fluorobenzoic acid molecule. The two bridging FB anions, one chelating FB anion and one nicotinamide (NA) ligand coordinate to one Zn cation with a distorted square-pyramidal geometry, while the two bridging FB anions, one monodentate FB anion and one NA ligand coordinate to the other Zn cation with a distorted tetrahedral geometry. Within the binuclear molecule, the pyridine rings are oriented at a dihedral angle of 19.41 (14)°. In the crystal structure, the uncoordinated 2-fluorobenzoic acid molecules are linked by O—H⋯O hydrogen bonding, forming centrosymmetric supramolecular dimers. Intermolecular N—H⋯O hydrogen bonds link the complex molecules into a three-dimensional network. The π–π contacts between nearly parallel pyridine and benzene rings [dihedral angles of 19.41 (14) and 12.72 (16)°, respectively, centroid–centroid distances = 3.701 (2) and 3.857 (3) Å] may further stabilize the crystal structure. The fluorine atoms in two FB ligands are disordered over two positions, with occupancy ratios of 0.70:0.30. |
format | Text |
id | pubmed-2971791 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29717912010-12-30 Bis(μ-2-fluorobenzoato-1:2κ(2) O:O′)(2-fluorobenzoato-1κ(2) O,O′)(2-fluorobenzoato-2κO)dinicotinamide-1κN (1),2κN (1)-dizinc(II)–2-fluorobenzoic acid (1/1) Hökelek, Tuncer Yılmaz, Filiz Tercan, Barış Özbek, F. Elif Necefoğlu, Hacali Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The asymmetric unit of the title compound, [Zn(2)(C(7)H(4)FO(2))(4)(C(6)H(6)N(2)O)(2)]·C(7)H(5)FO(2), consists of a binuclear Zn(II) complex bridged by two carboxyl groups of 2-fluorobenzoate (FB) anions and a 2-fluorobenzoic acid molecule. The two bridging FB anions, one chelating FB anion and one nicotinamide (NA) ligand coordinate to one Zn cation with a distorted square-pyramidal geometry, while the two bridging FB anions, one monodentate FB anion and one NA ligand coordinate to the other Zn cation with a distorted tetrahedral geometry. Within the binuclear molecule, the pyridine rings are oriented at a dihedral angle of 19.41 (14)°. In the crystal structure, the uncoordinated 2-fluorobenzoic acid molecules are linked by O—H⋯O hydrogen bonding, forming centrosymmetric supramolecular dimers. Intermolecular N—H⋯O hydrogen bonds link the complex molecules into a three-dimensional network. The π–π contacts between nearly parallel pyridine and benzene rings [dihedral angles of 19.41 (14) and 12.72 (16)°, respectively, centroid–centroid distances = 3.701 (2) and 3.857 (3) Å] may further stabilize the crystal structure. The fluorine atoms in two FB ligands are disordered over two positions, with occupancy ratios of 0.70:0.30. International Union of Crystallography 2009-11-21 /pmc/articles/PMC2971791/ /pubmed/21578633 http://dx.doi.org/10.1107/S1600536809048089 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 Özbek, F. Elif Necefoğlu, Hacali Bis(μ-2-fluorobenzoato-1:2κ(2) O:O′)(2-fluorobenzoato-1κ(2) O,O′)(2-fluorobenzoato-2κO)dinicotinamide-1κN (1),2κN (1)-dizinc(II)–2-fluorobenzoic acid (1/1) |
title | Bis(μ-2-fluorobenzoato-1:2κ(2)
O:O′)(2-fluorobenzoato-1κ(2)
O,O′)(2-fluorobenzoato-2κO)dinicotinamide-1κN
(1),2κN
(1)-dizinc(II)–2-fluorobenzoic acid (1/1) |
title_full | Bis(μ-2-fluorobenzoato-1:2κ(2)
O:O′)(2-fluorobenzoato-1κ(2)
O,O′)(2-fluorobenzoato-2κO)dinicotinamide-1κN
(1),2κN
(1)-dizinc(II)–2-fluorobenzoic acid (1/1) |
title_fullStr | Bis(μ-2-fluorobenzoato-1:2κ(2)
O:O′)(2-fluorobenzoato-1κ(2)
O,O′)(2-fluorobenzoato-2κO)dinicotinamide-1κN
(1),2κN
(1)-dizinc(II)–2-fluorobenzoic acid (1/1) |
title_full_unstemmed | Bis(μ-2-fluorobenzoato-1:2κ(2)
O:O′)(2-fluorobenzoato-1κ(2)
O,O′)(2-fluorobenzoato-2κO)dinicotinamide-1κN
(1),2κN
(1)-dizinc(II)–2-fluorobenzoic acid (1/1) |
title_short | Bis(μ-2-fluorobenzoato-1:2κ(2)
O:O′)(2-fluorobenzoato-1κ(2)
O,O′)(2-fluorobenzoato-2κO)dinicotinamide-1κN
(1),2κN
(1)-dizinc(II)–2-fluorobenzoic acid (1/1) |
title_sort | bis(μ-2-fluorobenzoato-1:2κ(2)
o:o′)(2-fluorobenzoato-1κ(2)
o,o′)(2-fluorobenzoato-2κo)dinicotinamide-1κn
(1),2κn
(1)-dizinc(ii)–2-fluorobenzoic acid (1/1) |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971791/ https://www.ncbi.nlm.nih.gov/pubmed/21578633 http://dx.doi.org/10.1107/S1600536809048089 |
work_keys_str_mv | AT hokelektuncer bism2fluorobenzoato12k2oo2fluorobenzoato1k2oo2fluorobenzoato2kodinicotinamide1kn12kn1dizincii2fluorobenzoicacid11 AT yılmazfiliz bism2fluorobenzoato12k2oo2fluorobenzoato1k2oo2fluorobenzoato2kodinicotinamide1kn12kn1dizincii2fluorobenzoicacid11 AT tercanbarıs bism2fluorobenzoato12k2oo2fluorobenzoato1k2oo2fluorobenzoato2kodinicotinamide1kn12kn1dizincii2fluorobenzoicacid11 AT ozbekfelif bism2fluorobenzoato12k2oo2fluorobenzoato1k2oo2fluorobenzoato2kodinicotinamide1kn12kn1dizincii2fluorobenzoicacid11 AT necefogluhacali bism2fluorobenzoato12k2oo2fluorobenzoato1k2oo2fluorobenzoato2kodinicotinamide1kn12kn1dizincii2fluorobenzoicacid11 |