Cargando…
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)...
Autores principales: | , , |
---|---|
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 |
_version_ | 1782266586642513920 |
---|---|
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. |
format | Online Article Text |
id | pubmed-3629475 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT caylakdelibasnagihan diaquabis2hydroxybenzoatoko1bisnicotinamidekn1cadmiumdiaquabis2hydroxybenzoatok2o1o1nicotinamidekncadmiumwater124 AT necefogluhacali diaquabis2hydroxybenzoatoko1bisnicotinamidekn1cadmiumdiaquabis2hydroxybenzoatok2o1o1nicotinamidekncadmiumwater124 AT hokelektuncer diaquabis2hydroxybenzoatoko1bisnicotinamidekn1cadmiumdiaquabis2hydroxybenzoatok2o1o1nicotinamidekncadmiumwater124 |