Suppr超能文献

一水合 2-苯基乙铵 4-硝基苯酚盐的晶体结构

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

作者信息

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

机构信息

Department of Applied Physics, Sri Venkateswara College of Engineering, Chennai 602 117, India.

Department of Physics, Presidency College, Chennai 600 005, India.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Nov 21;70(Pt 12):o1280. doi: 10.1107/S1600536814025318. eCollection 2014 Dec 1.

Abstract

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.

摘要

在标题水合分子盐C8H12N(+)·C6H4NO3 (-)·H2O中,阳离子侧链的构象为反式[C-C-C-N = 179.62 (12)°],阴离子中芳环与硝基之间的二面角为3.34 (11)°。在晶体中,各组分通过O-H⋯O和N-H⋯O氢键相连,形成(10-1)层,其具有R 4 (4)(21)环。这些层通过弱的芳环π-π堆积相互作用[质心-质心距离 = 3.896 (3) Å]相互作用,形成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d534/4257380/37f81b79492c/e-70-o1280-fig1.jpg

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验