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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...

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Detalles Bibliográficos
Autores principales: Hökelek, Tuncer, Ermiş, Emel, Tercan, Barış, Çimen, Efdal, Necefoğlu, Hacali
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
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%.
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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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