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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...

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Autores principales: Setifi, Fatima, Valkonen, Arto, Setifi, Zouaoui, Nummelin, Sami, Touzani, Rachid, Glidewell, Christopher
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
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.
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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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