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富马酸二甲酯 2 - （（2,5）-5 - （2 - 甲氧基 - 2 - 氧代 - 亚乙基） - 2 - {（） - [2 - 甲基 - 5 - （丙 - 1 - 烯 - 2 - 基）环己 - 2 - 烯基亚乙基]肼基亚乙基} - 4 - 氧代 - 噻唑烷 - 3 - 基）酯的晶体结构

Crystal structure of dimethyl 2-((2,5)-5-(2-meth-oxy-2-oxo-ethyl-idene)-2-{()-[2-methyl-5-(prop-1-en-2-yl)cyclo-hex-2-enyl-idene]hydrazinyl-idene}-4-oxo-thia-zolidin-3-yl)fumarate.

作者信息

N'ait Ousidi Abdellah, Ait Itto My Youssef, Auhmani Aziz, Riahi Abdelkhalek, Auhmani Abdelwahed, Daran Jean-Claude

机构信息

Laboratoire de Physico-Chimie Moléculaire et Synthèse Organique, Département de Chimie, Faculté des Sciences, Semlalia BP 2390, Marrakech 40001, Morocco.

Institut de Chimie Moléculaire de Reims, CNRS UMR 7312 Bât., Europol'Agro - Moulin de la Housse UFR Sciences BP 1039-51687 Reims Cédex 2, France.

出版信息

Acta Crystallogr E Crystallogr Commun. 2017 Jan 31;73(Pt 2):296-299. doi: 10.1107/S2056989017001190. eCollection 2017 Feb 1.

DOI:10.1107/S2056989017001190
PMID:28217362
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5290585/
Abstract

The crystal structure and the conformation of the title compound, CHNOS, were determined from the synthetic pathway and by X-ray analysis. This compound is a new 4-thia-zolidinone derivative prepared and isolated as pure product from thio-semicarbazone carvone. The mol-ecule is built up from an oxo-thia-zolidine ring tetra-substituted by a meth-oxy-oxo-ethyl-idene, a maleate, an oxygen and a cyclo-hexyl-idene-hydrazone. The cyclo-hexyl-idene ring is statistically disordered over two positions, resulting in an inversion of configuration for the substituted carbon.

摘要

通过合成途径并借助X射线分析确定了标题化合物CHNOS的晶体结构和构象。该化合物是一种新的4-硫代-唑烷酮衍生物，由硫代半卡巴腙香芹酮制备并分离为纯产物。分子由一个被甲氧基氧代亚乙基、一个马来酸酯、一个氧和一个环己基亚甲基腙四取代的氧代硫代唑烷环构成。环己基亚甲基环在两个位置上存在统计无序，导致取代碳的构型发生反转。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1bf7/5290585/39cb29545d3a/e-73-00296-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1bf7/5290585/bad3288cfb1e/e-73-00296-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1bf7/5290585/39cb29545d3a/e-73-00296-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1bf7/5290585/bad3288cfb1e/e-73-00296-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1bf7/5290585/39cb29545d3a/e-73-00296-fig2.jpg

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