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（E）-3-羟基-2-{N-[2-（噻吩-2-基）乙烯基]氨基甲酰基}丁酸乙酯

Ethyl (E)-3-hy-droxy-2-{N-[2-(thio-phen-2-yl)ethen-yl]carbamo-yl}but-2-enoate.

作者信息

Liu Bao-Shuo, Zhao Sheng-Yin

机构信息

College of Chemistry, Chemical Engineering and Biotechnology, Donghua University, Shanghai 201620, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2284. doi: 10.1107/S1600536812028176. Epub 2012 Jun 30.

DOI:10.1107/S1600536812028176
PMID:22798928
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3394063/
Abstract

In the title compound, C(13)H(15)NO(4)S, there are two independent but conformationally similar mol-ecules in the asymmetric unit, both having an E conformation of the side-chain C=C group. Intra-molecular N-H⋯O and O-H⋯O hydrogen-bonding inter-actions are present in both molecules. In the crystal, one of the mol-ecule types is linked through inter-molecular hy-droxy-ketone O-H⋯O inter-actions, forming one-dimensional chains extending along [010], whereas the other mol-ecule type shows no associations.

摘要

在标题化合物C₁₃H₁₅NO₄S中，不对称单元中有两个独立但构象相似的分子，两个分子侧链C=C基团均为E构型。两个分子中均存在分子内N-H⋯O和O-H⋯O氢键相互作用。在晶体中，一种分子类型通过分子间羟基-酮O-H⋯O相互作用相连，形成沿[010]方向延伸的一维链，而另一种分子类型则没有缔合作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c85d/3394063/d1554e0dd372/e-68-o2284-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c85d/3394063/e054fee29eba/e-68-o2284-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c85d/3394063/f4ab9d0ec502/e-68-o2284-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c85d/3394063/d1554e0dd372/e-68-o2284-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c85d/3394063/e054fee29eba/e-68-o2284-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c85d/3394063/f4ab9d0ec502/e-68-o2284-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c85d/3394063/d1554e0dd372/e-68-o2284-fig3.jpg

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本文引用的文献

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4-Hydroxy-2-pyridone alkaloids: structures and synthetic approaches.4-羟基-2-吡啶酮生物碱：结构与合成方法
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Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.