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Crystal structure of [tris(4,4′-bipyridine)]diium bis(1,1,3,3-tetracyano-2-ethoxypropenide) trihydrate
The title hydrated salt, C(30)H(26)N(6) (2+)·2C(9)H(5)N(4)O(−)·3H(2)O, was obtained as an unexpected product from the hydrothermal reaction between potassium 1,1,3,3-tetracyano-2-ethoxypropenide, 4,4′-bipyridine and iron(II) sulfate heptahydrate. The cation lies across a twofold rotation axis...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5120698/ https://www.ncbi.nlm.nih.gov/pubmed/27920908 http://dx.doi.org/10.1107/S2056989016012160 |
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author | Setifi, Fatima Valkonen, Arto Setifi, Zouaoui Nummelin, Sami Touzani, Rachid Glidewell, Christopher |
author_facet | Setifi, Fatima Valkonen, Arto Setifi, Zouaoui Nummelin, Sami Touzani, Rachid Glidewell, Christopher |
author_sort | Setifi, Fatima |
collection | PubMed |
description | The title hydrated salt, C(30)H(26)N(6) (2+)·2C(9)H(5)N(4)O(−)·3H(2)O, was obtained as an unexpected product from the hydrothermal reaction between potassium 1,1,3,3-tetracyano-2-ethoxypropenide, 4,4′-bipyridine and iron(II) sulfate heptahydrate. The cation lies across a twofold rotation axis in the space group I2/a with the other components all in general positions. In the cation, the H atom linking the pyridine units is disordered over two adjacent sites having occupancies of 0.66 (4) and 0.36 (4), i.e. as N—H⋯N and N⋯H—N. The water molecules of crystallization are each disordered over two sets of atomic sites, having occupancies of 0.522 (6) and 0.478 (6) for one, and 0.34 (3) and 0.16 (3) for the other, and it was not possible to reliably locate the H atoms associated with these partial-occupancy sites. In the crystal, four independent C—H⋯N hydrogen bonds link the ionic components into a three-dimensional network. |
format | Online Article Text |
id | pubmed-5120698 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-51206982016-12-05 Crystal structure of [tris(4,4′-bipyridine)]diium bis(1,1,3,3-tetracyano-2-ethoxypropenide) trihydrate Setifi, Fatima Valkonen, Arto Setifi, Zouaoui Nummelin, Sami Touzani, Rachid Glidewell, Christopher Acta Crystallogr E Crystallogr Commun Research Communications The title hydrated salt, C(30)H(26)N(6) (2+)·2C(9)H(5)N(4)O(−)·3H(2)O, was obtained as an unexpected product from the hydrothermal reaction between potassium 1,1,3,3-tetracyano-2-ethoxypropenide, 4,4′-bipyridine and iron(II) sulfate heptahydrate. The cation lies across a twofold rotation axis in the space group I2/a with the other components all in general positions. In the cation, the H atom linking the pyridine units is disordered over two adjacent sites having occupancies of 0.66 (4) and 0.36 (4), i.e. as N—H⋯N and N⋯H—N. The water molecules of crystallization are each disordered over two sets of atomic sites, having occupancies of 0.522 (6) and 0.478 (6) for one, and 0.34 (3) and 0.16 (3) for the other, and it was not possible to reliably locate the H atoms associated with these partial-occupancy sites. In the crystal, four independent C—H⋯N hydrogen bonds link the ionic components into a three-dimensional network. International Union of Crystallography 2016-08-05 /pmc/articles/PMC5120698/ /pubmed/27920908 http://dx.doi.org/10.1107/S2056989016012160 Text en © Setifi et al. 2016 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 | Research Communications Setifi, Fatima Valkonen, Arto Setifi, Zouaoui Nummelin, Sami Touzani, Rachid Glidewell, Christopher Crystal structure of [tris(4,4′-bipyridine)]diium bis(1,1,3,3-tetracyano-2-ethoxypropenide) trihydrate |
title | Crystal structure of [tris(4,4′-bipyridine)]diium bis(1,1,3,3-tetracyano-2-ethoxypropenide) trihydrate |
title_full | Crystal structure of [tris(4,4′-bipyridine)]diium bis(1,1,3,3-tetracyano-2-ethoxypropenide) trihydrate |
title_fullStr | Crystal structure of [tris(4,4′-bipyridine)]diium bis(1,1,3,3-tetracyano-2-ethoxypropenide) trihydrate |
title_full_unstemmed | Crystal structure of [tris(4,4′-bipyridine)]diium bis(1,1,3,3-tetracyano-2-ethoxypropenide) trihydrate |
title_short | Crystal structure of [tris(4,4′-bipyridine)]diium bis(1,1,3,3-tetracyano-2-ethoxypropenide) trihydrate |
title_sort | crystal structure of [tris(4,4′-bipyridine)]diium bis(1,1,3,3-tetracyano-2-ethoxypropenide) trihydrate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5120698/ https://www.ncbi.nlm.nih.gov/pubmed/27920908 http://dx.doi.org/10.1107/S2056989016012160 |
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