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Crystal structure of bis(9H-6-aminopurin-1-ium) hexafluoridosilicate(IV) dihydrate
The asymmetric unit of the title compound, 2C(5)H(6)N(5) (+)·SiF(6) (2−)·2H(2)O, contains one adeninium cation, half of a hexafluoridosilicate anion located on an inversion centre and one lattice water molecule. The adeninium cations are connected through N—H⋯N hydrogen bonds involving one H atom...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2015
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384624/ https://www.ncbi.nlm.nih.gov/pubmed/25878877 http://dx.doi.org/10.1107/S2056989014027005 |
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author | Belhouas, Ratiba Bouacida, Sofiane Boudaren, Chaouki Daran, Jean-Claude Chtoun, El Hossain |
author_facet | Belhouas, Ratiba Bouacida, Sofiane Boudaren, Chaouki Daran, Jean-Claude Chtoun, El Hossain |
author_sort | Belhouas, Ratiba |
collection | PubMed |
description | The asymmetric unit of the title compound, 2C(5)H(6)N(5) (+)·SiF(6) (2−)·2H(2)O, contains one adeninium cation, half of a hexafluoridosilicate anion located on an inversion centre and one lattice water molecule. The adeninium cations are connected through N—H⋯N hydrogen bonds involving one H atom of the –NH(2) group and the H atom of the protonated N atom of the adenine ring system, forming centrosymmetric ring motifs of the type R (2) (2)(10) and R (2) (2)(8), respectively. The overall connection of the cation leads to the formation of planar ribbons parallel to (122). In the ribbons, slipped π–π stacking interactions, with a centroid-to-centroid distance of 3.6938 (9) Å, an interplanar distance of 3.455 Å and a slippage of 1.306 Å is observed. The hexafluoridosilicate anion and the water molecule are linked through O—H⋯F hydrogen bonds [ring motif R (4) (4)(12)] into chains parallel to [100]. The cationic ribbons and anionic chains are finally connected through additional N—H⋯O, N—H⋯F and O—H⋯F hydrogen bonds into a three-dimensional network in which layers of adeninium cations and fluoridosilicate anions alternate parallel to (001). |
format | Online Article Text |
id | pubmed-4384624 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-43846242015-04-15 Crystal structure of bis(9H-6-aminopurin-1-ium) hexafluoridosilicate(IV) dihydrate Belhouas, Ratiba Bouacida, Sofiane Boudaren, Chaouki Daran, Jean-Claude Chtoun, El Hossain Acta Crystallogr E Crystallogr Commun Data Reports The asymmetric unit of the title compound, 2C(5)H(6)N(5) (+)·SiF(6) (2−)·2H(2)O, contains one adeninium cation, half of a hexafluoridosilicate anion located on an inversion centre and one lattice water molecule. The adeninium cations are connected through N—H⋯N hydrogen bonds involving one H atom of the –NH(2) group and the H atom of the protonated N atom of the adenine ring system, forming centrosymmetric ring motifs of the type R (2) (2)(10) and R (2) (2)(8), respectively. The overall connection of the cation leads to the formation of planar ribbons parallel to (122). In the ribbons, slipped π–π stacking interactions, with a centroid-to-centroid distance of 3.6938 (9) Å, an interplanar distance of 3.455 Å and a slippage of 1.306 Å is observed. The hexafluoridosilicate anion and the water molecule are linked through O—H⋯F hydrogen bonds [ring motif R (4) (4)(12)] into chains parallel to [100]. The cationic ribbons and anionic chains are finally connected through additional N—H⋯O, N—H⋯F and O—H⋯F hydrogen bonds into a three-dimensional network in which layers of adeninium cations and fluoridosilicate anions alternate parallel to (001). International Union of Crystallography 2015-01-03 /pmc/articles/PMC4384624/ /pubmed/25878877 http://dx.doi.org/10.1107/S2056989014027005 Text en © Belhouas et al. 2015 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 | Data Reports Belhouas, Ratiba Bouacida, Sofiane Boudaren, Chaouki Daran, Jean-Claude Chtoun, El Hossain Crystal structure of bis(9H-6-aminopurin-1-ium) hexafluoridosilicate(IV) dihydrate |
title | Crystal structure of bis(9H-6-aminopurin-1-ium) hexafluoridosilicate(IV) dihydrate |
title_full | Crystal structure of bis(9H-6-aminopurin-1-ium) hexafluoridosilicate(IV) dihydrate |
title_fullStr | Crystal structure of bis(9H-6-aminopurin-1-ium) hexafluoridosilicate(IV) dihydrate |
title_full_unstemmed | Crystal structure of bis(9H-6-aminopurin-1-ium) hexafluoridosilicate(IV) dihydrate |
title_short | Crystal structure of bis(9H-6-aminopurin-1-ium) hexafluoridosilicate(IV) dihydrate |
title_sort | crystal structure of bis(9h-6-aminopurin-1-ium) hexafluoridosilicate(iv) dihydrate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384624/ https://www.ncbi.nlm.nih.gov/pubmed/25878877 http://dx.doi.org/10.1107/S2056989014027005 |
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