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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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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. |
format | Online Article Text |
id | pubmed-3238649 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT donghuaze catenapolyacetatok2oocadmiummacetatok3ooom12bis4pyridin3ylpyrimidin2ylsulfanylethanek2n4n4trihydrate AT chuzhaolian catenapolyacetatok2oocadmiummacetatok3ooom12bis4pyridin3ylpyrimidin2ylsulfanylethanek2n4n4trihydrate |