Crystal structure of bis(9 H -6-aminopurin-1-ium) hexafluoridosilicate(IV) dihydrate

• Published in: Acta crystallographica. Section E, Crystallographic communications Vol. 71; no. 2; pp. o72 - o73
• Main Authors: Belhouas, Ratiba, Bouacida, Sofiane, Boudaren, Chaouki, Daran, Jean-Claude, Chtoun, El Hossain
• Format: Journal Article
• Language: English
• Published: International Union of Crystallography 01-02-2015
• Subjects: Chemical Sciences; Coordination chemistry; crystal structure; hexafluoridosilicate anion; hydrogen bonding; purinium cation; Purinium cation; Hexafluoridosilicate anion; Hydrogen bonding; Crystal structure
• ISSN: 2056-9890; 2056-9890
• DOI: 10.1107/S2056989014027005

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).