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Diaqua­bis­(2-hy­droxy­benzoato-κO (1))bis­(nicotinamide-κN (1))cadmium–diaqua­bis­(2-hy­droxy­benzoato-κ(2) O (1),O (1′))(nico­tin­amide-κN)cadmium–water (1/2/4)

The crystal structure of the title compound, [Cd(C(7)H(5)O(3))(2)(C(6)H(6)NO)(2)(H(2)O)(2)]·2[Cd(C(7)H(5)O(3))(2)(C(6)H(6)NO)(H(2)O)(2)]·4H(2)O, consists of two kinds of Cd(II) complexes (A and B) and lattice water mol­ecules. In complex A, [Cd(C(7)H(5)O(3))(2)(C(6)H(6)NO)(2)(H(2)O)(2)], the Cd(II)...

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Autores principales: Çaylak Delibaş, Nagihan, Necefoğlu, Hacali, Hökelek, Tuncer
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629475/
https://www.ncbi.nlm.nih.gov/pubmed/23633993
http://dx.doi.org/10.1107/S1600536813006168
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author Çaylak Delibaş, Nagihan
Necefoğlu, Hacali
Hökelek, Tuncer
author_facet Çaylak Delibaş, Nagihan
Necefoğlu, Hacali
Hökelek, Tuncer
author_sort Çaylak Delibaş, Nagihan
collection PubMed
description The crystal structure of the title compound, [Cd(C(7)H(5)O(3))(2)(C(6)H(6)NO)(2)(H(2)O)(2)]·2[Cd(C(7)H(5)O(3))(2)(C(6)H(6)NO)(H(2)O)(2)]·4H(2)O, consists of two kinds of Cd(II) complexes (A and B) and lattice water mol­ecules. In complex A, [Cd(C(7)H(5)O(3))(2)(C(6)H(6)NO)(2)(H(2)O)(2)], the Cd(II) cation is located on an inversion center and is coordinated by two salicylate anions, two nicotinamide (NA) ligands and two water mol­ecules in a slightly distorted octa­hedral geometry. In complex B, [Cd(C(7)H(5)O(3))(2)(C(6)H(6)NO)(H(2)O)(2)], the Cd(II) cation is coordinated by two salicylate anions, one nicotinamide (NA) ligand and two water mol­ecules in an irregular seven-coordinate geometry. There are extensive intra­molecular O—H⋯O and weak C—H⋯O hydrogen bonds as well as extensive inter­molecular O—H⋯O and N—H⋯O hydrogen bonding in the crystal structure. π–π stacking between the pyridine and benzene rings, between the benzene rings, between the benzene and pyridine rings and between the pyridine rings [centroid–centroid distances = 3.5989 (10), 3.6005 (10), 3.5800 (9) and 3.5205 (10) Å, respectively] further stabilize the crystal structure. A weak N—H⋯π inter­action also occurs. One of the lattice water mol­ecules is disordered over two positions with an occupancy ratio of 0.70:0.30.
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spelling pubmed-36294752013-04-30 Diaqua­bis­(2-hy­droxy­benzoato-κO (1))bis­(nicotinamide-κN (1))cadmium–diaqua­bis­(2-hy­droxy­benzoato-κ(2) O (1),O (1′))(nico­tin­amide-κN)cadmium–water (1/2/4) Çaylak Delibaş, Nagihan Necefoğlu, Hacali Hökelek, Tuncer Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The crystal structure of the title compound, [Cd(C(7)H(5)O(3))(2)(C(6)H(6)NO)(2)(H(2)O)(2)]·2[Cd(C(7)H(5)O(3))(2)(C(6)H(6)NO)(H(2)O)(2)]·4H(2)O, consists of two kinds of Cd(II) complexes (A and B) and lattice water mol­ecules. In complex A, [Cd(C(7)H(5)O(3))(2)(C(6)H(6)NO)(2)(H(2)O)(2)], the Cd(II) cation is located on an inversion center and is coordinated by two salicylate anions, two nicotinamide (NA) ligands and two water mol­ecules in a slightly distorted octa­hedral geometry. In complex B, [Cd(C(7)H(5)O(3))(2)(C(6)H(6)NO)(H(2)O)(2)], the Cd(II) cation is coordinated by two salicylate anions, one nicotinamide (NA) ligand and two water mol­ecules in an irregular seven-coordinate geometry. There are extensive intra­molecular O—H⋯O and weak C—H⋯O hydrogen bonds as well as extensive inter­molecular O—H⋯O and N—H⋯O hydrogen bonding in the crystal structure. π–π stacking between the pyridine and benzene rings, between the benzene rings, between the benzene and pyridine rings and between the pyridine rings [centroid–centroid distances = 3.5989 (10), 3.6005 (10), 3.5800 (9) and 3.5205 (10) Å, respectively] further stabilize the crystal structure. A weak N—H⋯π inter­action also occurs. One of the lattice water mol­ecules is disordered over two positions with an occupancy ratio of 0.70:0.30. International Union of Crystallography 2013-03-09 /pmc/articles/PMC3629475/ /pubmed/23633993 http://dx.doi.org/10.1107/S1600536813006168 Text en © Çaylak Delibaş 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
Çaylak Delibaş, Nagihan
Necefoğlu, Hacali
Hökelek, Tuncer
Diaqua­bis­(2-hy­droxy­benzoato-κO (1))bis­(nicotinamide-κN (1))cadmium–diaqua­bis­(2-hy­droxy­benzoato-κ(2) O (1),O (1′))(nico­tin­amide-κN)cadmium–water (1/2/4)
title Diaqua­bis­(2-hy­droxy­benzoato-κO (1))bis­(nicotinamide-κN (1))cadmium–diaqua­bis­(2-hy­droxy­benzoato-κ(2) O (1),O (1′))(nico­tin­amide-κN)cadmium–water (1/2/4)
title_full Diaqua­bis­(2-hy­droxy­benzoato-κO (1))bis­(nicotinamide-κN (1))cadmium–diaqua­bis­(2-hy­droxy­benzoato-κ(2) O (1),O (1′))(nico­tin­amide-κN)cadmium–water (1/2/4)
title_fullStr Diaqua­bis­(2-hy­droxy­benzoato-κO (1))bis­(nicotinamide-κN (1))cadmium–diaqua­bis­(2-hy­droxy­benzoato-κ(2) O (1),O (1′))(nico­tin­amide-κN)cadmium–water (1/2/4)
title_full_unstemmed Diaqua­bis­(2-hy­droxy­benzoato-κO (1))bis­(nicotinamide-κN (1))cadmium–diaqua­bis­(2-hy­droxy­benzoato-κ(2) O (1),O (1′))(nico­tin­amide-κN)cadmium–water (1/2/4)
title_short Diaqua­bis­(2-hy­droxy­benzoato-κO (1))bis­(nicotinamide-κN (1))cadmium–diaqua­bis­(2-hy­droxy­benzoato-κ(2) O (1),O (1′))(nico­tin­amide-κN)cadmium–water (1/2/4)
title_sort diaqua­bis­(2-hy­droxy­benzoato-κo (1))bis­(nicotinamide-κn (1))cadmium–diaqua­bis­(2-hy­droxy­benzoato-κ(2) o (1),o (1′))(nico­tin­amide-κn)cadmium–water (1/2/4)
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629475/
https://www.ncbi.nlm.nih.gov/pubmed/23633993
http://dx.doi.org/10.1107/S1600536813006168
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