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Bis(μ-4-methylbenzoato-κ(2) O:O′)bis[aqua(4-methylbenzoato-κ(2) O,O′)zinc(II)]–bis(μ-4-methylbenzoato-κ(2) O:O′)bis[(4-methylbenzoato-κO)(nicotinamide-κN)zinc(II)]–water (1/1/2)
The crystal structure of the title compound, [Zn(2)(C(8)H(7)O(2))(4)(H(2)O)(2)]·[Zn(2)(C(8)H(7)O(2))(4)(C(6)H(6)N(2)O)(2)]·2H(2)O, consists of two kinds of dinuclear Zn(II) complexes (complex A and complex B) and uncoordinated water molecules. In complex A, [Zn(2)(C(8)H(7)O(2))(4)(H(2)O)(2)], each...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3006769/ https://www.ncbi.nlm.nih.gov/pubmed/21587753 http://dx.doi.org/10.1107/S1600536810022476 |
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author | Hökelek, Tuncer Ermiş, Emel Tercan, Barış Çimen, Efdal Necefoğlu, Hacali |
author_facet | Hökelek, Tuncer Ermiş, Emel Tercan, Barış Çimen, Efdal Necefoğlu, Hacali |
author_sort | Hökelek, Tuncer |
collection | PubMed |
description | The crystal structure of the title compound, [Zn(2)(C(8)H(7)O(2))(4)(H(2)O)(2)]·[Zn(2)(C(8)H(7)O(2))(4)(C(6)H(6)N(2)O)(2)]·2H(2)O, consists of two kinds of dinuclear Zn(II) complexes (complex A and complex B) and uncoordinated water molecules. In complex A, [Zn(2)(C(8)H(7)O(2))(4)(H(2)O)(2)], each Zn cation is chelated by a 4-methylbenzoate (PMB) anion and coordinated by a water molecule, and is further bridged by two PMB anions in a trigonal-bipyramidal geometry. In complex B, [Zn(2)(C(8)H(7)O(2))(4)(C(6)H(6)N(2)O)(2)], each Zn(II) cation is coordinated by a monodentate PMB anion and one nicotinamide (NA) ligand, and is further bridged by two PMB anions in a tetrahedral geometry. Weak intra-molecular π–π stacking between adjacent benzene rings is observed in complex B, the centroid–centroid distance being 3.710 (2) Å. Extensive O—H⋯O and N—H⋯O hydrogen bonding and weak C—H⋯O hydrogen bonding is present in the crystal structure. The crystal studied was a racemic twin; the minor twin component refined to 38%. |
format | Text |
id | pubmed-3006769 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30067692010-12-30 Bis(μ-4-methylbenzoato-κ(2) O:O′)bis[aqua(4-methylbenzoato-κ(2) O,O′)zinc(II)]–bis(μ-4-methylbenzoato-κ(2) O:O′)bis[(4-methylbenzoato-κO)(nicotinamide-κN)zinc(II)]–water (1/1/2) Hökelek, Tuncer Ermiş, Emel Tercan, Barış Çimen, Efdal Necefoğlu, Hacali Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The crystal structure of the title compound, [Zn(2)(C(8)H(7)O(2))(4)(H(2)O)(2)]·[Zn(2)(C(8)H(7)O(2))(4)(C(6)H(6)N(2)O)(2)]·2H(2)O, consists of two kinds of dinuclear Zn(II) complexes (complex A and complex B) and uncoordinated water molecules. In complex A, [Zn(2)(C(8)H(7)O(2))(4)(H(2)O)(2)], each Zn cation is chelated by a 4-methylbenzoate (PMB) anion and coordinated by a water molecule, and is further bridged by two PMB anions in a trigonal-bipyramidal geometry. In complex B, [Zn(2)(C(8)H(7)O(2))(4)(C(6)H(6)N(2)O)(2)], each Zn(II) cation is coordinated by a monodentate PMB anion and one nicotinamide (NA) ligand, and is further bridged by two PMB anions in a tetrahedral geometry. Weak intra-molecular π–π stacking between adjacent benzene rings is observed in complex B, the centroid–centroid distance being 3.710 (2) Å. Extensive O—H⋯O and N—H⋯O hydrogen bonding and weak C—H⋯O hydrogen bonding is present in the crystal structure. The crystal studied was a racemic twin; the minor twin component refined to 38%. International Union of Crystallography 2010-06-26 /pmc/articles/PMC3006769/ /pubmed/21587753 http://dx.doi.org/10.1107/S1600536810022476 Text en © Hökelek et al. 2010 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 Ermiş, Emel Tercan, Barış Çimen, Efdal Necefoğlu, Hacali Bis(μ-4-methylbenzoato-κ(2) O:O′)bis[aqua(4-methylbenzoato-κ(2) O,O′)zinc(II)]–bis(μ-4-methylbenzoato-κ(2) O:O′)bis[(4-methylbenzoato-κO)(nicotinamide-κN)zinc(II)]–water (1/1/2) |
title | Bis(μ-4-methylbenzoato-κ(2)
O:O′)bis[aqua(4-methylbenzoato-κ(2)
O,O′)zinc(II)]–bis(μ-4-methylbenzoato-κ(2)
O:O′)bis[(4-methylbenzoato-κO)(nicotinamide-κN)zinc(II)]–water (1/1/2) |
title_full | Bis(μ-4-methylbenzoato-κ(2)
O:O′)bis[aqua(4-methylbenzoato-κ(2)
O,O′)zinc(II)]–bis(μ-4-methylbenzoato-κ(2)
O:O′)bis[(4-methylbenzoato-κO)(nicotinamide-κN)zinc(II)]–water (1/1/2) |
title_fullStr | Bis(μ-4-methylbenzoato-κ(2)
O:O′)bis[aqua(4-methylbenzoato-κ(2)
O,O′)zinc(II)]–bis(μ-4-methylbenzoato-κ(2)
O:O′)bis[(4-methylbenzoato-κO)(nicotinamide-κN)zinc(II)]–water (1/1/2) |
title_full_unstemmed | Bis(μ-4-methylbenzoato-κ(2)
O:O′)bis[aqua(4-methylbenzoato-κ(2)
O,O′)zinc(II)]–bis(μ-4-methylbenzoato-κ(2)
O:O′)bis[(4-methylbenzoato-κO)(nicotinamide-κN)zinc(II)]–water (1/1/2) |
title_short | Bis(μ-4-methylbenzoato-κ(2)
O:O′)bis[aqua(4-methylbenzoato-κ(2)
O,O′)zinc(II)]–bis(μ-4-methylbenzoato-κ(2)
O:O′)bis[(4-methylbenzoato-κO)(nicotinamide-κN)zinc(II)]–water (1/1/2) |
title_sort | bis(μ-4-methylbenzoato-κ(2)
o:o′)bis[aqua(4-methylbenzoato-κ(2)
o,o′)zinc(ii)]–bis(μ-4-methylbenzoato-κ(2)
o:o′)bis[(4-methylbenzoato-κo)(nicotinamide-κn)zinc(ii)]–water (1/1/2) |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3006769/ https://www.ncbi.nlm.nih.gov/pubmed/21587753 http://dx.doi.org/10.1107/S1600536810022476 |
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