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半(4,4'-联吡啶鎓)六氟磷酸双(4-氨基苯甲酸)4,4'-联吡啶一水合物

Hemi(4,4'-bipyridinium) hexa-fluorido-phosphate bis-(4-amino-benzoic acid) 4,4'-bipyridine monohydrate.

作者信息

Wu Yi-Yi, Huang Chun-De, Huang Jie-Xuan, Zeng Rong-Hua, Luo Yi-Fan

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 10;65(Pt 2):o278. doi: 10.1107/S1600536808043900.

Abstract

In the title compound, 0.5C(10)H(10)N(2) (2+)·PF(6) (-)·C(10)H(8)N(2)·2C(7)H(7)NO(2)·H(2)O, the cation is located on a center of symmetry. The crystal structure is determined by a complex three-dimensional network of inter-molecular O-H⋯O, O-H⋯N, N-H⋯N and N-H⋯F hydrogen bonds. π-π stacking inter-actions between neighboring pyridyl rings are also present; the centroid-centroid distance is 3.643 (5) Å. The hexa-fluoridophosphate anion is disordered over two positions with site-occupancy factors of ca 0.6 and 0.4.

摘要

在标题化合物0.5C(10)H(10)N(2)(2+)·PF(6)(-)·C(10)H(8)N(2)·2C(7)H(7)NO(2)·H(2)O中,阳离子位于对称中心上。晶体结构由分子间O-H⋯O、O-H⋯N、N-H⋯N和N-H⋯F氢键构成的复杂三维网络所决定。相邻吡啶环之间还存在π-π堆积相互作用;质心间距为3.643 (5) Å。六氟磷酸根阴离子在两个位置上无序分布,占位因子约为0.6和0.4。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c56d/2968380/7b5c0f64e8fe/e-65-0o278-fig1.jpg

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