Suppr超能文献

N-{2-[4-(2-甲氧基苯基)哌嗪-1-基]乙基}吡啶-2-胺一水合物

N-{2-[4-(2-Meth-oxy-phen-yl)piperazin-1-yl]eth-yl}pyridin-2-amine monohydrate.

作者信息

Jiang Quan-Fu, Lu Chun-Xiong

机构信息

Key Laboratory of Nuclear Medicine, Ministry of Health, Jiangsu Key Laboratory of Molecular Nuclear Medicine, Jiangsu Institute of Nuclear Medicine, Wuxi 214063, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 23;66(Pt 7):o1727. doi: 10.1107/S1600536810022816.

Abstract

In the title compound, C(18)H(24)N(4)O·H(2)O, the piperizine ring adopts a chair conformation and the dihedral angle between the phenyl and pyridine rings is 39.9 (3)°. The comformations of the attachment of the anisole and N-ethyl-pyridin-2-amine groups to the piperazine ring are +anti-periplanar. An intra-molecular C-H⋯O inter-action occurs. In the crystal, the water mol-ecule links the mol-ecules into chains through O-H⋯N hydrogen bonds. Weak N-H⋯O, C-H⋯N and C-H⋯O inter-actions further stabilize the crystal structure.

摘要

在标题化合物C(18)H(24)N(4)O·H(2)O中,哌嗪环呈椅式构象,苯环和吡啶环之间的二面角为39.9 (3)°。苯甲醚和N-乙基吡啶-2-胺基团与哌嗪环相连的构象为+反式共平面。存在分子内C-H⋯O相互作用。在晶体中,水分子通过O-H⋯N氢键将分子连接成链。弱的N-H⋯O、C-H⋯N和C-H⋯O相互作用进一步稳定了晶体结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f6e2/3006790/ed950e711668/e-66-o1727-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