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(5-氨基戊基)三苯基溴化鏻乙醇溶剂化物

(5-Ammonio-pent-yl)triphenyl-phospho-nium dibromide ethanol solvate.

作者信息

Evans Cameron

机构信息

Department of Chemistry, University of Otago, PO Box 56, Dunedin, New Zealand.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Feb 3;66(Pt 3):o502-3. doi: 10.1107/S1600536810003193.

DOI:10.1107/S1600536810003193
PMID:21580280
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2983624/
Abstract

The alkyl-ammonium chain of the dication in the title mitochondrially targeted (5-ammonio-pent-yl)triphenyl--phos-pho-nium dibromide ethanol solvate, C(23)H(28)NP(2+)·2Br(-)·C(2)H(6)O, is almost planar (r.m.s deviation = 0.0716 Å for all non-H atoms) and in the extended form, maximizing the P⋯N distance [7.716 (2) Å]. The ions and solvent are linked within the crystal by N-H⋯Br, N-H⋯O and O-H⋯Br hydrogen-bonding inter-actions, forming C(3) (2)(6) chains along the b axis, with secondary C-H⋯Br and C-H⋯O inter-actions cross-linking the chains.

摘要

标题化合物线粒体靶向的(5-铵基戊基)三苯基溴化鏻二乙醇溶剂化物C(23)H(28)NP(2+)·2Br(-)·C(2)H(6)O中的二价阳离子的烷基铵链几乎呈平面状(所有非H原子的均方根偏差 = 0.0716 Å),且呈伸展形式,使P⋯N距离最大化[7.716(2) Å]。离子和溶剂在晶体中通过N-H⋯Br、N-H⋯O和O-H⋯Br氢键相互作用相连,沿b轴形成C(3) (2)(6)链,同时还有二级C-H⋯Br和C-H⋯O相互作用使这些链交联。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e785/2983624/6c22eaaf6e5d/e-66-0o502-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e785/2983624/a3c6717dbe6c/e-66-0o502-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e785/2983624/6c22eaaf6e5d/e-66-0o502-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e785/2983624/a3c6717dbe6c/e-66-0o502-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e785/2983624/6c22eaaf6e5d/e-66-0o502-fig2.jpg

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