catena-Poly[[[(acetato-κ2O,O′)cadmium]-μ-acetato-κ3O,O′:O′-μ-{1,2-bis[4-(pyridin-3-yl)pyrimidin-2-ylsulfanyl]ethane}-κ2N4,N4′] trihydrate]
The title compound, {[Cd(CH3COO)2(C20H16N6S2)]·3H2O}n, exists as a one-dimensional zigzag polymer in which the CdII ion shows a seven-coordinate [CdO5N2] distorted pentagonal–bipyramidal geometry with the N atoms in axial positions and an N—Cd—N...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2011-12-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536811046794 |
| _version_ | 1819294244812095488 |
|---|---|
| author | Hua-Ze Dong Zhao-Lian Chu |
| author_facet | Hua-Ze Dong Zhao-Lian Chu |
| author_sort | Hua-Ze Dong |
| collection | DOAJ |
| description | The title compound, {[Cd(CH3COO)2(C20H16N6S2)]·3H2O}n, exists as a one-dimensional zigzag polymer in which the CdII ion shows a seven-coordinate [CdO5N2] 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. |
| first_indexed | 2024-12-24T04:23:15Z |
| format | Article |
| id | doaj.art-8e29c02598fa4b31b212782b5689be01 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-24T04:23:15Z |
| publishDate | 2011-12-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-8e29c02598fa4b31b212782b5689be012022-12-21T17:15:43ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-12-016712m1740m174010.1107/S1600536811046794catena-Poly[[[(acetato-κ2O,O′)cadmium]-μ-acetato-κ3O,O′:O′-μ-{1,2-bis[4-(pyridin-3-yl)pyrimidin-2-ylsulfanyl]ethane}-κ2N4,N4′] trihydrate]Hua-Ze DongZhao-Lian ChuThe title compound, {[Cd(CH3COO)2(C20H16N6S2)]·3H2O}n, exists as a one-dimensional zigzag polymer in which the CdII ion shows a seven-coordinate [CdO5N2] 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.http://scripts.iucr.org/cgi-bin/paper?S1600536811046794 |
| spellingShingle | Hua-Ze Dong Zhao-Lian Chu catena-Poly[[[(acetato-κ2O,O′)cadmium]-μ-acetato-κ3O,O′:O′-μ-{1,2-bis[4-(pyridin-3-yl)pyrimidin-2-ylsulfanyl]ethane}-κ2N4,N4′] trihydrate] Acta Crystallographica Section E |
| title | catena-Poly[[[(acetato-κ2O,O′)cadmium]-μ-acetato-κ3O,O′:O′-μ-{1,2-bis[4-(pyridin-3-yl)pyrimidin-2-ylsulfanyl]ethane}-κ2N4,N4′] trihydrate] |
| title_full | catena-Poly[[[(acetato-κ2O,O′)cadmium]-μ-acetato-κ3O,O′:O′-μ-{1,2-bis[4-(pyridin-3-yl)pyrimidin-2-ylsulfanyl]ethane}-κ2N4,N4′] trihydrate] |
| title_fullStr | catena-Poly[[[(acetato-κ2O,O′)cadmium]-μ-acetato-κ3O,O′:O′-μ-{1,2-bis[4-(pyridin-3-yl)pyrimidin-2-ylsulfanyl]ethane}-κ2N4,N4′] trihydrate] |
| title_full_unstemmed | catena-Poly[[[(acetato-κ2O,O′)cadmium]-μ-acetato-κ3O,O′:O′-μ-{1,2-bis[4-(pyridin-3-yl)pyrimidin-2-ylsulfanyl]ethane}-κ2N4,N4′] trihydrate] |
| title_short | catena-Poly[[[(acetato-κ2O,O′)cadmium]-μ-acetato-κ3O,O′:O′-μ-{1,2-bis[4-(pyridin-3-yl)pyrimidin-2-ylsulfanyl]ethane}-κ2N4,N4′] trihydrate] |
| title_sort | catena poly acetato amp 954 2o o amp 8242 cadmium amp 956 acetato amp 954 3o o amp 8242 o amp 8242 amp 956 1 2 bis 4 pyridin 3 yl pyrimidin 2 ylsulfanyl ethane amp 954 2n4 n4 amp 8242 trihydrate |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536811046794 |
| work_keys_str_mv | AT huazedong catenapolyacetatoamp9542ooamp8242cadmiumamp956acetatoamp9543ooamp8242oamp8242amp95612bis4pyridin3ylpyrimidin2ylsulfanylethaneamp9542n4n4amp8242trihydrate AT zhaolianchu catenapolyacetatoamp9542ooamp8242cadmiumamp956acetatoamp9543ooamp8242oamp8242amp95612bis4pyridin3ylpyrimidin2ylsulfanylethaneamp9542n4n4amp8242trihydrate |