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catena-Poly[[[(acetato-κ(2) O,O′)cadmium]-μ-acetato-κ(3) O,O′:O′-μ-{1,2-bis­[4-(pyridin-3-yl)pyrimidin-2-ylsulfan­yl]ethane}-κ(2) N (4),N (4′)] trihydrate]

The title compound, {[Cd(CH(3)COO)(2)(C(20)H(16)N(6)S(2))]·3H(2)O}(n), exists as a one-dimensional zigzag polymer in which the Cd(II) ion shows a seven-coordinate [CdO(5)N(2)] distorted penta­gonal–bipyramidal geometry with the N atoms in axial positions and an N—Cd—N angle of 176.94 (13)°. The meta...

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Detalles Bibliográficos
Autores principales: Dong, Hua-Ze, Chu, Zhao-Lian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3238649/
https://www.ncbi.nlm.nih.gov/pubmed/22199540
http://dx.doi.org/10.1107/S1600536811046794
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author Dong, Hua-Ze
Chu, Zhao-Lian
author_facet Dong, Hua-Ze
Chu, Zhao-Lian
author_sort Dong, Hua-Ze
collection PubMed
description The title compound, {[Cd(CH(3)COO)(2)(C(20)H(16)N(6)S(2))]·3H(2)O}(n), exists as a one-dimensional zigzag polymer in which the Cd(II) ion shows a seven-coordinate [CdO(5)N(2)] distorted penta­gonal–bipyramidal geometry with the N atoms in axial positions and an N—Cd—N angle of 176.94 (13)°. The metal atoms are bridged by 1,2-bis­[4-(pyridin-3-yl)pyrimidin-2-ylsulfan­yl]ethane ligands, giving a polymeric chain extending along the b axis. Adjacent chains related by an inversion center are further bridged by Cd—O bonds formed between the O atom of one of the acetate ligands and the metal atom. The five Cd—O bond lengths are in the range 2.329 (3)–2.485 (3) Å. There are π–π stacking inter­actions between the aromatic rings of adjacent polymeric chains, the centroid–centroid distances being 3.556 (3) and 3.698 (3) Å, organizing the chains into a three-dimensional framework. This framework is additionally stabilized by extensive O—H⋯O and O—H⋯N hydrogen bonding between water mol­ecules and the ligands.
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spelling pubmed-32386492011-12-23 catena-Poly[[[(acetato-κ(2) O,O′)cadmium]-μ-acetato-κ(3) O,O′:O′-μ-{1,2-bis­[4-(pyridin-3-yl)pyrimidin-2-ylsulfan­yl]ethane}-κ(2) N (4),N (4′)] trihydrate] Dong, Hua-Ze Chu, Zhao-Lian Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The title compound, {[Cd(CH(3)COO)(2)(C(20)H(16)N(6)S(2))]·3H(2)O}(n), exists as a one-dimensional zigzag polymer in which the Cd(II) ion shows a seven-coordinate [CdO(5)N(2)] distorted penta­gonal–bipyramidal geometry with the N atoms in axial positions and an N—Cd—N angle of 176.94 (13)°. The metal atoms are bridged by 1,2-bis­[4-(pyridin-3-yl)pyrimidin-2-ylsulfan­yl]ethane ligands, giving a polymeric chain extending along the b axis. Adjacent chains related by an inversion center are further bridged by Cd—O bonds formed between the O atom of one of the acetate ligands and the metal atom. The five Cd—O bond lengths are in the range 2.329 (3)–2.485 (3) Å. There are π–π stacking inter­actions between the aromatic rings of adjacent polymeric chains, the centroid–centroid distances being 3.556 (3) and 3.698 (3) Å, organizing the chains into a three-dimensional framework. This framework is additionally stabilized by extensive O—H⋯O and O—H⋯N hydrogen bonding between water mol­ecules and the ligands. International Union of Crystallography 2011-11-12 /pmc/articles/PMC3238649/ /pubmed/22199540 http://dx.doi.org/10.1107/S1600536811046794 Text en © Dong and Chu 2011 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
Dong, Hua-Ze
Chu, Zhao-Lian
catena-Poly[[[(acetato-κ(2) O,O′)cadmium]-μ-acetato-κ(3) O,O′:O′-μ-{1,2-bis­[4-(pyridin-3-yl)pyrimidin-2-ylsulfan­yl]ethane}-κ(2) N (4),N (4′)] trihydrate]
title catena-Poly[[[(acetato-κ(2) O,O′)cadmium]-μ-acetato-κ(3) O,O′:O′-μ-{1,2-bis­[4-(pyridin-3-yl)pyrimidin-2-ylsulfan­yl]ethane}-κ(2) N (4),N (4′)] trihydrate]
title_full catena-Poly[[[(acetato-κ(2) O,O′)cadmium]-μ-acetato-κ(3) O,O′:O′-μ-{1,2-bis­[4-(pyridin-3-yl)pyrimidin-2-ylsulfan­yl]ethane}-κ(2) N (4),N (4′)] trihydrate]
title_fullStr catena-Poly[[[(acetato-κ(2) O,O′)cadmium]-μ-acetato-κ(3) O,O′:O′-μ-{1,2-bis­[4-(pyridin-3-yl)pyrimidin-2-ylsulfan­yl]ethane}-κ(2) N (4),N (4′)] trihydrate]
title_full_unstemmed catena-Poly[[[(acetato-κ(2) O,O′)cadmium]-μ-acetato-κ(3) O,O′:O′-μ-{1,2-bis­[4-(pyridin-3-yl)pyrimidin-2-ylsulfan­yl]ethane}-κ(2) N (4),N (4′)] trihydrate]
title_short catena-Poly[[[(acetato-κ(2) O,O′)cadmium]-μ-acetato-κ(3) O,O′:O′-μ-{1,2-bis­[4-(pyridin-3-yl)pyrimidin-2-ylsulfan­yl]ethane}-κ(2) N (4),N (4′)] trihydrate]
title_sort catena-poly[[[(acetato-κ(2) o,o′)cadmium]-μ-acetato-κ(3) o,o′:o′-μ-{1,2-bis­[4-(pyridin-3-yl)pyrimidin-2-ylsulfan­yl]ethane}-κ(2) n (4),n (4′)] trihydrate]
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3238649/
https://www.ncbi.nlm.nih.gov/pubmed/22199540
http://dx.doi.org/10.1107/S1600536811046794
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AT chuzhaolian catenapolyacetatok2oocadmiummacetatok3ooom12bis4pyridin3ylpyrimidin2ylsulfanylethanek2n4n4trihydrate