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-(3-氯-4-羟基苯基)乙酰胺

-(3-Chloro-4-hy-droxy-phen-yl)acetamide.

作者信息

Uppu Rao M, Fronczek Frank R

机构信息

Department of Environmental Toxicology Southern University and A&M College Baton Rouge Louisiana 70813 USA.

Department of Chemistry Louisiana State University,Baton Rouge Louisiana 70803 USA.

出版信息

IUCrdata. 2025 Aug 5;10(Pt 8):x250695. doi: 10.1107/S2414314625006959. eCollection 2025 Aug.

DOI:10.1107/S2414314625006959
PMID:40917535
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12412683/
Abstract

In the title compound, CHClNO, the acetamide substituent is twisted out of the phenyl plane, forming a dihedral angle of 58.61 (7)°. In the extended structure, each mol-ecule donates two hydrogen bonds [N-H⋯O(carbon-yl) and O-H⋯O(carbon-yl)] and thus also accepts two such hydrogen bonds. The chlorine atom is not involved in the hydrogen bonding.

摘要

在标题化合物CHClNO中,乙酰胺取代基扭转出苯平面,形成58.61 (7)°的二面角。在扩展结构中,每个分子提供两个氢键[N-H⋯O(羰基)和O-H⋯O(羰基)],因此也接受两个这样的氢键。氯原子不参与氢键形成。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2e88/12412683/192fef0fca9c/x-10-x250695-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2e88/12412683/c85e6fa58c39/x-10-x250695-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2e88/12412683/68aa17ebe141/x-10-x250695-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2e88/12412683/192fef0fca9c/x-10-x250695-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2e88/12412683/c85e6fa58c39/x-10-x250695-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2e88/12412683/68aa17ebe141/x-10-x250695-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2e88/12412683/192fef0fca9c/x-10-x250695-fig3.jpg

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本文引用的文献

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J Xenobiot. 2025 May 23;15(3):78. doi: 10.3390/jox15030078.
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,'-[Oxybis(benzene-4,1-di-yl)]diacetamide.,-[氧代双(苯-4,1-二亚基)]二乙酰胺。
IUCrdata. 2025 May 2;10(Pt 5):x250384. doi: 10.1107/S2414314625003840. eCollection 2025 May.
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Formation of Larger Molecular Weight Disinfection Byproducts from Acetaminophen in Chlorine Disinfection.在氯消毒中,从对乙酰氨基酚形成更大分子量的消毒副产物。
Environ Sci Technol. 2022 Dec 6;56(23):16929-16939. doi: 10.1021/acs.est.2c06394. Epub 2022 Nov 21.
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A review on the degradation of acetaminophen by advanced oxidation process: pathway, by-products, biotoxicity, and density functional theory calculation.高级氧化法降解对乙酰氨基酚的综述:途径、副产物、生物毒性及密度泛函理论计算
RSC Adv. 2022 Jun 22;12(29):18373-18396. doi: 10.1039/d2ra02469a.
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Degradation of Acetaminophen via UVA-induced advanced oxidation processes (AOPs). Involvement of different radical species: HO, SO and HO/O.通过 UVA 诱导的高级氧化工艺(AOPs)降解对乙酰氨基酚。涉及不同的自由基种类:HO、SO 和 HO/O。
Chemosphere. 2020 Nov;258:127268. doi: 10.1016/j.chemosphere.2020.127268. Epub 2020 Jun 12.
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: from visualization to analysis, design and prediction.从可视化到分析、设计与预测。
J Appl Crystallogr. 2020 Feb 1;53(Pt 1):226-235. doi: 10.1107/S1600576719014092.
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Acetaminophen micropollutant: Historical and current occurrences, toxicity, removal strategies and transformation pathways in different environments.对乙酰氨基酚微污染物:在不同环境中的历史和当前出现情况、毒性、去除策略和转化途径。
Chemosphere. 2019 Dec;236:124391. doi: 10.1016/j.chemosphere.2019.124391. Epub 2019 Jul 22.
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Acetaminophen-Induced Hepatotoxicity: a Comprehensive Update.对乙酰氨基酚诱导的肝毒性:全面更新。
J Clin Transl Hepatol. 2016 Jun 28;4(2):131-42. doi: 10.14218/JCTH.2015.00052. Epub 2016 Jun 15.
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Transformation of acetaminophen during water chlorination treatment: kinetics and transformation products identification.对乙酰氨基酚在水氯化处理过程中的转化:动力学及转化产物鉴定
Environ Sci Pollut Res Int. 2016 Jun;23(12):12303-11. doi: 10.1007/s11356-016-6341-x. Epub 2016 Mar 17.
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Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination.用于单晶结构测定的银和钼微焦点X射线源的比较。
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