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2-氧代-2-色烯-4-基 3,3-二甲基丁酸酯

2-Oxo-2-chromen-4-yl 3,3-di-methyl-butano-ate.

作者信息

Bationo Valentin, Ziki Eric, Sombié Charles Bavouma, Semdé Rasmané, Djandé Abdoulaye

机构信息

Laboratory of Molecular Chemistry and Materials, Research Team: Organic Chemistry and Phytochemistry, University Joseph KI-ZERBO, 03 BP 7021 Ouagadougou 03, Burkina Faso.

Laboratory of Material, Sciences, Environnement and Solar Energy, Research Team: Crystallography and Molecular Physics, University Félix Houphouët-Boigny, 08 BP 582 Abidjan, Ivory Coast.

出版信息

IUCrdata. 2024 May 31;9(Pt 5):x240494. doi: 10.1107/S2414314624004942. eCollection 2024 May.

DOI:10.1107/S2414314624004942
PMID:38846554
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11151293/
Abstract

In the crystal of the title compound, CHO, the mol-ecules are connected through C-H⋯O hydrogen bonds, generating [100] chains, which are crosslinked by weak π-π stacking inter-actions.

摘要

在标题化合物CHO的晶体中，分子通过C-H⋯O氢键相连，形成[100]链，这些链通过弱π-π堆积相互作用交联。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8731/11151293/e971baecb08b/x-09-x240494-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8731/11151293/380a3879cc60/x-09-x240494-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8731/11151293/00e777b917a6/x-09-x240494-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8731/11151293/eedb8a524627/x-09-x240494-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8731/11151293/e971baecb08b/x-09-x240494-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8731/11151293/380a3879cc60/x-09-x240494-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8731/11151293/00e777b917a6/x-09-x240494-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8731/11151293/eedb8a524627/x-09-x240494-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8731/11151293/e971baecb08b/x-09-x240494-fig4.jpg

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本文引用的文献

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: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals.用于分子晶体的 Hirshfeld 表面分析、可视化和定量分析的程序。
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Crystal structure of 2-oxo-2-chromen-3-yl 4-chloro-benzoate and Hirshfeld surface analysis.2-氧代-2-色烯-3-基 4-氯苯甲酸酯的晶体结构及 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2017 Jan 1;73(Pt 1):45-47. doi: 10.1107/S2056989016019538.
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Crystal structures of three 6-substituted coumarin-3-carboxamide derivatives.
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Acta Crystallogr E Crystallogr Commun. 2016 Jun 10;72(Pt 7):926-32. doi: 10.1107/S2056989016008665. eCollection 2016 Jul 1.
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Simple coumarins and analogues in medicinal chemistry: occurrence, synthesis and biological activity.药物化学中的简单香豆素及其类似物：存在、合成与生物活性
Curr Med Chem. 2005;12(8):887-916. doi: 10.2174/0929867053507315.
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Synthetic and natural coumarins as cytotoxic agents.合成与天然香豆素作为细胞毒性剂
Curr Med Chem Anticancer Agents. 2005 Jan;5(1):29-46. doi: 10.2174/1568011053352550.
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Studies on coumarins and coumarin-related compounds to determine their therapeutic role in the treatment of cancer.关于香豆素及香豆素相关化合物的研究，以确定它们在癌症治疗中的治疗作用。
Curr Pharm Des. 2004;10(30):3797-811. doi: 10.2174/1381612043382693.