2-苯基乙基胺- 4-硝基苯酚一水合物的晶体结构。

IF 0.9

Acta crystallographica. Section E, Structure reports online Pub Date : 2014-11-21 eCollection Date: 2014-12-01 DOI:10.1107/S1600536814025318

N Swarna Sowmya, S Sampathkrishnan, S Sudhahar, R Mohan Kumar, G Chakkaravarthi

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引用次数: 2

摘要

在标题水合分子盐C8H12N(+)·C6H4NO3(-)·H2O中，正离子侧链的构象为反[C-C-C-N = 179.62(12)°]，阴离子中芳环与硝基的二面角为3.34(11)°。在晶体中，组分由O- h⋯O和N-H⋯O氢键连接，形成(10-1)片，其特征为r4(4)(21)环。薄片通过弱芳香π-π堆叠相互作用[质心-质心距离= 3.896 (3)Å]，形成三维网络。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Crystal structure of 2-phenyl-ethyl-amin-ium 4-nitro-phenolate monohydrate.

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Crystal structure of 2-phenyl-ethyl-amin-ium 4-nitro-phenolate monohydrate.

In the title hydrated mol-ecular salt, C8H12N(+)·C6H4NO3 (-)·H2O, the conformation of the side chain in the cation is anti [C-C-C-N = 179.62 (12)°] and the dihedral angle between the aromatic ring and the nitro group in the anion is 3.34 (11)°. In the crystal, the components are linked by O-H⋯O and N-H⋯O hydrogen bonds, generating (10-1) sheets, which feature R 4 (4)(21) loops. The sheets inter-act by weak aromatic π-π stacking inter-actions [centroid-centroid distance = 3.896 (3) Å], forming a three-dimensional network.

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来源期刊

Acta crystallographica. Section E, Structure reports online 化学-晶体学

自引率

33.30%

发文量

审稿时长

1.3 months

期刊介绍： Acta Crystallographica Section E: Structure Reports Online is the IUCr highly popular open-access structural journal. It provides a simple and easily accessible publication mechanism for the growing number of inorganic, metal-organic and organic crystal structure determinations. The electronic submission, validation, refereeing and publication facilities of the journal ensure very rapid and high-quality publication, whilst key indicators and validation reports provide measures of structural reliability. In 2009, the journal published over 4000 structures. The average publication time is less than one month.