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双(丙烷 - 1,3 - 二铵)六氟铝酸盐二水四氟铝酸盐四水合物的晶体结构

Crystal structure of bis-(propane-1,3-diaminium) hexa-fluorido-aluminate di-aqua-tetra-fluorido-aluminate tetra-hydrate.

作者信息

Abdi Insaf, Al-Sadhan Khulood, Ben Ali Amor

机构信息

Université de Carthage, Faculté des Sciences de Bizerte, UR11ES30, 7021 Jarzouna, Tunisia.

Department of Chemistry, Girls College of Science, University of Dammam, PO Box 838, Dammam 31113, Saudi Arabia.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Nov 8;70(Pt 12):471-3. doi: 10.1107/S1600536814024155. eCollection 2014 Dec 1.

Abstract

The title compound, (C3H12N2)2[AlF6][AlF4(H2O)2]·4H2O, was obtained by a solvothermal method in ethanol as solvent and with aluminium hydroxide, HF and 1,3-di-amino-propane as educts. The asymmetric unit contains a quarter each of two crystallographically independent propane-1,3-di-ammonium dicat-ions, AlF6 and AlF4(H2O)2 anions and four water mol-ecules. The cations, anions and three of the independent water mol-ecules are situated on special positions mm, while the fourth water mol-ecule is disordered about a mirror plane. In the crystal, inter-molecular N-H⋯F and O-H⋯F hydrogen bonds link the cations and anions into a three-dimensional framework with the voids filled by water mol-ecules, which generate O-H⋯O hydrogen bonds and further consolidate the packing.

摘要

标题化合物(C₃H₁₂N₂)₂[AlF₆][AlF₄(H₂O)₂]·4H₂O是通过溶剂热法,以乙醇为溶剂,氢氧化铝、HF和1,3 - 二氨基丙烷为原料制得的。不对称单元包含两个晶体学独立的丙烷 - 1,3 - 二铵双阳离子的四分之一、[AlF₆]³⁻和[AlF₄(H₂O)₂]⁻阴离子以及四个水分子。阳离子、阴离子和三个独立水分子位于特殊位置mm上,而第四个水分子在一个镜面周围无序分布。在晶体中,分子间的N - H⋯F和O - H⋯F氢键将阳离子和阴离子连接成三维框架,空隙由水分子填充,水分子形成O - H⋯O氢键并进一步巩固堆积。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2089/4257444/ae8970e57f20/e-70-00471-fig1.jpg

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