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N,N'-双(2-氨苄基)乙烷-1,2-二铵硝酸盐-高氯酸盐(1/1.5/2.5)

N,N'-Bis(2-ammonio-benz-yl)ethane-1,2-diammonium-nitrate-perchlorate (1/1.5/2.5).

作者信息

Garza Rodríguez Luis Angel, Bernès Sylvain, Nájera Martínez Blanca, Elizondo Martínez Perla, Pérez Rodríguez Nancy

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Nov 4;65(Pt 12):o2995. doi: 10.1107/S160053680904519X.

DOI:10.1107/S160053680904519X
PMID:21578735
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2972165/
Abstract

The title compound, C(16)H(26)N(4) (4+)·2.5ClO(4) (-)·1.5NO(3) (-), is an organic salt in which the cation is a fully protonated tetra-mine. The cation lies on an inversion center and, as a consequence, both benzene rings are parallel. The central chain is found in an all-trans arrangement, a conformation different from that observed in the crystal structure of the non-protonated mol-ecule. The charges are balanced by a mixture of nitrate and perchlorate ions. One site is occupied by an ordered perchlorate ion, while the other contains both nitrate and perchlorate ions, with occupancies of 0.75 and 0.25, respectively. In the crystal, the NH(2) (+) groups of the cation form N-H⋯O hydrogen bonds with the anions. The NH(3) (+) groups also behave as donor groups, allowing the building of chains along [100], alternating cations and disordered anions being connected via N-H⋯O hydrogen bonds.

摘要

标题化合物C(16)H(26)N(4)(4+)·2.5ClO(4)(-)·1.5NO(3)(-)是一种有机盐,其中阳离子是完全质子化的四胺。阳离子位于一个对称中心上,因此两个苯环是平行的。中心链呈全反式排列,这种构象与在非质子化分子的晶体结构中观察到的不同。电荷由硝酸根离子和高氯酸根离子的混合物平衡。一个位置被一个有序的高氯酸根离子占据,而另一个位置同时含有硝酸根离子和高氯酸根离子,占有率分别为0.75和0.25。在晶体中,阳离子的NH(2)(+)基团与阴离子形成N-H⋯O氢键。NH(3)(+)基团也作为供体基团,使得沿着[100]方向形成链,交替的阳离子和无序的阴离子通过N-H⋯O氢键相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6967/2972165/8da348bd3ca6/e-65-o2995-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6967/2972165/e694817dea02/e-65-o2995-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6967/2972165/8da348bd3ca6/e-65-o2995-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6967/2972165/e694817dea02/e-65-o2995-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6967/2972165/8da348bd3ca6/e-65-o2995-fig2.jpg

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