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二水合双(9H-6-氨基嘌呤鎓)六氟硅酸(IV)的晶体结构

Crystal structure of bis-(9H-6-amino-purin-1-ium) hexa-fluorido-silicate(IV) dihydrate.

作者信息

Belhouas Ratiba, Bouacida Sofiane, Boudaren Chaouki, Daran Jean-Claude, Chtoun El Hossain

机构信息

Unité de Recherche de Chimie de l'Environnement et Moléculaire Structurale, CHEMS, Université Mentouri-Constantine, 25000, Algeria.

Unité de Recherche de Chimie de l'Environnement et Moléculaire Structurale, CHEMS, Université Mentouri-Constantine, 25000, Algeria ; Département Sciences de la Matière, Faculté des Sciences Exactes et Sciences de la Nature et de la Vie, Université Oum El Bouaghi, Algeria.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Jan 3;71(Pt 2):o72-3. doi: 10.1107/S2056989014027005. eCollection 2015 Feb 1.

Abstract

The asymmetric unit of the title compound, 2C5H6N5 (+)·SiF6 (2-)·2H2O, contains one adeninium cation, half of a hexa-fluorido-silicate anion located on an inversion centre and one lattice water mol-ecule. The adeninium cations are connected through N-H⋯N hydrogen bonds involving one H atom of the -NH2 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 inter-actions, with a centroid-to-centroid distance of 3.6938 (9) Å, an inter-planar distance of 3.455 Å and a slippage of 1.306 Å is observed. The hexa-fluorido-silicate anion and the water mol-ecule 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 fluorido-silicate anions alternate parallel to (001).

摘要

标题化合物2C₅H₆N₅⁺·SiF₆²⁻·2H₂O的不对称单元包含一个腺嘌呤阳离子、位于对称中心的半个六氟硅酸根阴离子和一个晶格水分子。腺嘌呤阳离子通过涉及 -NH₂基团的一个H原子和腺嘌呤环系质子化N原子的H原子的N - H⋯N氢键相连,分别形成R₂²(10)和R₂²(8)型的中心对称环基序。阳离子的整体连接导致形成平行于(122)的平面带状结构。在这些带状结构中,观察到质心到质心距离为3.6938 (9) Å、平面间距离为3.455 Å且滑移为1.306 Å的滑移π - π堆积相互作用。六氟硅酸根阴离子和水分子通过O - H⋯F氢键[环基序R₄⁴(12)]连接成平行于[100]的链。阳离子带状结构和阴离子链最终通过额外的N - H⋯O、N - H⋯F和O - H⋯F氢键连接成三维网络,其中腺嘌呤阳离子层和氟硅酸根阴离子层平行于(001)交替排列。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6109/4384624/0fe8f4f33376/e-71-00o72-fig1.jpg

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