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catena-Poly[[aqua­bis­(4-formyl­benzoato-κ(2) O (1),O (1′))cadmium]-μ-pyrazine-κ(2) N:N′]

The polymeric title compound, [Cd(C(8)H(5)O(3))(2)(C(4)H(4)N(2))(H(2)O)](n), contains two 4-formyl­benzoate (FB) anions, one pyrazine mol­ecule and one coordinating water mol­ecule; the FB anions act as bidentate ligands. The O atom, the aldehyde H atom and the benzene ring of one of the FB anions a...

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Autores principales: Çelik, Fatih, Dilek, Nefise, Çaylak Delibaş, Nagihan, Necefoğlu, Hacali, Hökelek, Tuncer
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998250/
https://www.ncbi.nlm.nih.gov/pubmed/24764811
http://dx.doi.org/10.1107/S1600536813035010
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author Çelik, Fatih
Dilek, Nefise
Çaylak Delibaş, Nagihan
Necefoğlu, Hacali
Hökelek, Tuncer
author_facet Çelik, Fatih
Dilek, Nefise
Çaylak Delibaş, Nagihan
Necefoğlu, Hacali
Hökelek, Tuncer
author_sort Çelik, Fatih
collection PubMed
description The polymeric title compound, [Cd(C(8)H(5)O(3))(2)(C(4)H(4)N(2))(H(2)O)](n), contains two 4-formyl­benzoate (FB) anions, one pyrazine mol­ecule and one coordinating water mol­ecule; the FB anions act as bidentate ligands. The O atom, the aldehyde H atom and the benzene ring of one of the FB anions are disordered over two positions. The O atoms were freely refined [refined occupancy ratio 0.79 (2):0.21 (2)], while the aldehyde H atoms and the benzene ring atoms were refined with fixed occupancy ratios of 0.8:0.2 and 0.5:0.5, respectively. In the ordered FB anion, the carboxyl­ate group is twisted away from the attached benzene ring (A) by 22.7 (8)°. In the disordered FB anion, the corresponding angles are 15.6 (10) and 11.4 (11)° for rings B and B′, respectively. Benzene rings A and B are oriented at a dihedral angle of 24.2 (7), A and B′ at 43.0 (8)°. The pyrazine ring makes dihedral angles of 67.5 (4), 89.6 (7) and 86.2 (7)°, respectively, with benzene rings A, B and B′. The pyrazine ligands bridge the Cd(II) cations, forming polymeric chains running along the b-axis direction. In the crystal, O—H(water) ⋯ O(carboxyl­ate) hydrogen bonds link adjacent chains into layers parallel to the bc plane. These layers are linked via C—H(pyrazine) ⋯ O(form­yl) hydrogen bonds, forming a three-dimensional network. π–π interactions [centroid–centroid distances = 3.870 (11)–3.951 (5) Å] further stabilize the crystal structure. There is also a weak C—H⋯π inter­action present.
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spelling pubmed-39982502014-04-24 catena-Poly[[aqua­bis­(4-formyl­benzoato-κ(2) O (1),O (1′))cadmium]-μ-pyrazine-κ(2) N:N′] Çelik, Fatih Dilek, Nefise Çaylak Delibaş, Nagihan Necefoğlu, Hacali Hökelek, Tuncer Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The polymeric title compound, [Cd(C(8)H(5)O(3))(2)(C(4)H(4)N(2))(H(2)O)](n), contains two 4-formyl­benzoate (FB) anions, one pyrazine mol­ecule and one coordinating water mol­ecule; the FB anions act as bidentate ligands. The O atom, the aldehyde H atom and the benzene ring of one of the FB anions are disordered over two positions. The O atoms were freely refined [refined occupancy ratio 0.79 (2):0.21 (2)], while the aldehyde H atoms and the benzene ring atoms were refined with fixed occupancy ratios of 0.8:0.2 and 0.5:0.5, respectively. In the ordered FB anion, the carboxyl­ate group is twisted away from the attached benzene ring (A) by 22.7 (8)°. In the disordered FB anion, the corresponding angles are 15.6 (10) and 11.4 (11)° for rings B and B′, respectively. Benzene rings A and B are oriented at a dihedral angle of 24.2 (7), A and B′ at 43.0 (8)°. The pyrazine ring makes dihedral angles of 67.5 (4), 89.6 (7) and 86.2 (7)°, respectively, with benzene rings A, B and B′. The pyrazine ligands bridge the Cd(II) cations, forming polymeric chains running along the b-axis direction. In the crystal, O—H(water) ⋯ O(carboxyl­ate) hydrogen bonds link adjacent chains into layers parallel to the bc plane. These layers are linked via C—H(pyrazine) ⋯ O(form­yl) hydrogen bonds, forming a three-dimensional network. π–π interactions [centroid–centroid distances = 3.870 (11)–3.951 (5) Å] further stabilize the crystal structure. There is also a weak C—H⋯π inter­action present. International Union of Crystallography 2014-01-11 /pmc/articles/PMC3998250/ /pubmed/24764811 http://dx.doi.org/10.1107/S1600536813035010 Text en © Çelik et al. 2014 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
Çelik, Fatih
Dilek, Nefise
Çaylak Delibaş, Nagihan
Necefoğlu, Hacali
Hökelek, Tuncer
catena-Poly[[aqua­bis­(4-formyl­benzoato-κ(2) O (1),O (1′))cadmium]-μ-pyrazine-κ(2) N:N′]
title catena-Poly[[aqua­bis­(4-formyl­benzoato-κ(2) O (1),O (1′))cadmium]-μ-pyrazine-κ(2) N:N′]
title_full catena-Poly[[aqua­bis­(4-formyl­benzoato-κ(2) O (1),O (1′))cadmium]-μ-pyrazine-κ(2) N:N′]
title_fullStr catena-Poly[[aqua­bis­(4-formyl­benzoato-κ(2) O (1),O (1′))cadmium]-μ-pyrazine-κ(2) N:N′]
title_full_unstemmed catena-Poly[[aqua­bis­(4-formyl­benzoato-κ(2) O (1),O (1′))cadmium]-μ-pyrazine-κ(2) N:N′]
title_short catena-Poly[[aqua­bis­(4-formyl­benzoato-κ(2) O (1),O (1′))cadmium]-μ-pyrazine-κ(2) N:N′]
title_sort catena-poly[[aqua­bis­(4-formyl­benzoato-κ(2) o (1),o (1′))cadmium]-μ-pyrazine-κ(2) n:n′]
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998250/
https://www.ncbi.nlm.nih.gov/pubmed/24764811
http://dx.doi.org/10.1107/S1600536813035010
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