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N,N'-双(2-氨基苄基)乙烷-1,2-二铵二硝酸盐

N,N'-Bis(2-amino-benz-yl)ethane-1,2-diaminium dinitrate.

作者信息

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

机构信息

Universidad Regiomontana A.C., 15 de Mayo 567 Pte., Monterrey, Nuevo León CP 64000, Mexico.

Universidad Autónoma de Nuevo León, UANL, Facultad de Ciencias Químicas, Av. Universidad S/N, Ciudad Universitaria, San Nicolás de los Garza, Nuevo León CP 66451, Mexico.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Oct 16;69(Pt 11):o1643-4. doi: 10.1107/S1600536813027475.

DOI:10.1107/S1600536813027475
PMID:24454087
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3884311/
Abstract

In the title salt, C16H24N4 (2+)·2NO3 (-), both the cation and anion are placed in general positions, although the cation displays non-crystallographic inversion symmetry, with the aliphatic chain extended in an all-trans conformation. The benzene rings are almost parallel, with a dihedral angle between their mean planes of 3.3 (6)°. The nitrate ions are placed in the vicinity of the protonated amine groups, forming efficient N-H⋯O inter-ion hydrogen bonds. Each nitrate ion in the asymmetric unit bridges two symmetry-related cations, forming an R 4 (4)(18) ring, a common motif in organic ammonium nitrate salts. This results in the formation of chains along [010] with alternating cations and anions. The neutral amine groups are involved in slightly weaker N-H⋯O hydrogen bonds with the nitrate O atoms, and there are also a number of C-H⋯O hydrogen bonds present. The resulting supra-molecular structure is based on a two-dimensional network extending in the ab plane.

摘要

在标题盐C₁₆H₂₄N₄(2+)·2NO₃(-)中,阳离子和阴离子均处于一般位置,尽管阳离子呈现非晶体学反演对称性,且脂肪族链以全反式构象伸展。苯环几乎平行,其平均平面之间的二面角为3.3(6)°。硝酸根离子位于质子化胺基附近,形成有效的N-H⋯O离子间氢键。不对称单元中的每个硝酸根离子桥连两个对称相关的阳离子,形成一个R₄(4)(18)环,这是有机硝酸铵盐中的常见结构单元。这导致沿着[010]方向形成由阳离子和阴离子交替排列的链。中性胺基与硝酸根O原子形成稍弱的N-H⋯O氢键,并且还存在许多C-H⋯O氢键。由此产生的超分子结构基于在ab平面中延伸的二维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/45ec/3884311/f5ee075d5c20/e-69-o1643-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/45ec/3884311/fcb56a8c5f12/e-69-o1643-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/45ec/3884311/f5ee075d5c20/e-69-o1643-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/45ec/3884311/fcb56a8c5f12/e-69-o1643-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/45ec/3884311/f5ee075d5c20/e-69-o1643-fig2.jpg

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