Suppr超能文献

(2Z,2'Z)-3,3'-[丁烷-1,4-二基双(氮杂二亚基)]双(丁-2-烯酸)二乙酯

(2Z,2'Z)-Diethyl 3,3'-[butane-1,4-diylbis(aza-nedi-yl)]bis-(but-2-enoate).

作者信息

Harrad Mohamed Anouar, Boualy Brahim, Ali Mustapha Ait, El Firdoussi Larbi, Stoeckli-Evans Helen

机构信息

Equipe de Chimie de Coordination, Faculté des Sciences Semlalia, BP 2390, Marrakech, Morocco.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Oct 1;68(Pt 10):o2855-6. doi: 10.1107/S1600536812036823. Epub 2012 Sep 5.

Abstract

The whole mol-ecule of the title β-enamino-ester, C(16)H(28)N(2)O(4), is generated by a crystallographic inversion center, situated at the mid-point of the central C-C bond of the 1,4-diamino-butane segment. There are two intra-molecular N-H⋯O hydrogen bonds that generate S(6) ring motifs. This leads to the Z conformation about the C=C bonds [1.3756 (17) Å]. The mol-ecule is S-shaped with the planar central 1,4-diamino-butane segment [maximum deviation for non H-atoms = 0.0058 (13) Å] being inclined to the ethyl butyl-enonate fragment [C-C-O-C-C=C-C; maximum deviation = 0.0710 (12) Å] by 15.56 (10)°. In the crystal, mol-ecules are linked via C-H⋯O inter-actions, leading to the formation of an undulating two-dimensional network lying parallel to the bc plane.

摘要

标题为β-烯胺酯(C₁₆H₂₈N₂O₄)的整个分子由一个晶体学倒转中心生成,该中心位于1,4-二氨基丁烷片段中心C-C键的中点。存在两个分子内N-H⋯O氢键,形成了S(6)环模式。这导致C=C键呈Z构象[1.3756 (17) Å]。分子呈S形,平面的中心1,4-二氨基丁烷片段[非H原子的最大偏差 = 0.0058 (13) Å]相对于乙基丁烯酸酯片段[C-C-O-C-C=C-C;最大偏差 = 0.0710 (12) Å]倾斜15.56 (10)°。在晶体中,分子通过C-H⋯O相互作用相连,形成了一个平行于bc平面的起伏二维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/093c/3470214/4017e886c596/e-68-o2855-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