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N,N'-双(2-氨基苄基)乙烷-1,2-二铵双(4-甲基苯磺酸盐)

N,N'-Bis(2-amino-benz-yl)ethane-1,2-diaminium bis-(4-methyl-benzene-sulfonate).

作者信息

Garza Rodríguez Luis Ángel, Bernès Sylvain, Elizondo Martínez Perla, Nájera Martínez Blanca, Rodríguez de Luna Sara L

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3235-6. doi: 10.1107/S1600536811045879. Epub 2011 Nov 9.

DOI:10.1107/S1600536811045879
PMID:22199748
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3238895/
Abstract

The title salt, C(16)H(24)N(4) (2+)·2C(7)H(7)O(3)S(-), crystallizes with the dication situated on an inversion center and the anion in a general position. The cation contains two ammonium and two free amine groups, and the observed conformation for the chain linking the benzene rings is different from that found in the free tetra-amine and in the fully protonated tetra-amine. All amine and ammonium H atoms of the cation form hydrogen bonds with eight symmetry-related anions, using the sulfonate O atoms as acceptors. This arrangement for the ions precludes any π-π contacts between benzene rings in the crystal.

摘要

标题盐C(16)H(24)N(4)(2+)·2C(7)H(7)O(3)S(-)结晶时，二价阳离子位于对称中心，阴离子处于一般位置。阳离子包含两个铵基和两个游离胺基，连接苯环的链所观察到的构象与游离四胺和完全质子化的四胺中的构象不同。阳离子的所有胺基和铵基H原子与八个对称相关的阴离子形成氢键，以磺酸根O原子作为受体。这种离子排列方式排除了晶体中苯环之间的任何π-π接触。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b863/3238895/a4b92996b295/e-67-o3235-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b863/3238895/4bee96c89bef/e-67-o3235-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b863/3238895/a4b92996b295/e-67-o3235-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b863/3238895/4bee96c89bef/e-67-o3235-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b863/3238895/a4b92996b295/e-67-o3235-fig2.jpg

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