• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利：CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法，用中文像聊天一样搜索，搜遍4000万医学文献。AI智能推荐，让科研检索更轻松。

立即免费搜索

文件翻译

保留排版，准确专业，支持PDF/Word/PPT等文件格式，支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述，25分钟生成高质量综述，智能提取关键信息，辅助科研写作。

立即免费体验

N-（3-溴-1,4-二氧代-1,4-二氢-2-萘基）-2-氯-N-（2-氯苯甲酰基）苯甲酰胺

N-(3-Bromo-1,4-dioxo-1,4-dihydro-2-naphth-yl)-2-chloro-N-(2-chloro-benzoyl)benzamide.

作者信息

Akinboye Emmanuel S, Butcher Ray J, Brandy Yakini, Adesiyun Tolulope A, Bakare Oladapo

机构信息

Department of Chemistry, Howard University, 525 College Street NW, Washington, DC 20059, USA.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 6;65(Pt 1):o24. doi: 10.1107/S1600536808039214.

DOI:10.1107/S1600536808039214
PMID:21581667
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2967943/
Abstract

The title compound, C(24)H(12)BrCl(2)NO(4), was synthesized from 2-amino-3-bromo-1,4-naphthoquinone and 2-chloro-benzoyl chloride. The crystal structure shows that each of the chloro-phenyl rings is inclined at about 60° to the naphthoquinone ring system. The two chloro-phenyl rings adopt a conformation that ensures that chlorine substituents are anti so as to reduce electronic repulsion. An examination of the packing shows close O⋯Br and Cl⋯Cl contacts of 2.947 (2) and 3.346 (1) Å, respectively. In addition, the molecules are linked by weak intermolecular C-H⋯O and C-H⋯Cl interactions.

摘要

标题化合物C(24)H(12)BrCl(2)NO(4)由2-氨基-3-溴-1,4-萘醌和2-氯苯甲酰氯合成。晶体结构表明，每个氯苯环与萘醌环系统的夹角约为60°。两个氯苯环采取一种构象，以确保氯取代基呈反式排列，从而减少电子排斥。对堆积情况的研究表明，存在紧密的O⋯Br和Cl⋯Cl接触，距离分别为2.947 (2) Å和3.346 (1) Å。此外，分子通过弱的分子间C-H⋯O和C-H⋯Cl相互作用相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/76cc/2967943/af6a24a0f793/e-65-00o24-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/76cc/2967943/71e973c3244a/e-65-00o24-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/76cc/2967943/af6a24a0f793/e-65-00o24-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/76cc/2967943/71e973c3244a/e-65-00o24-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/76cc/2967943/af6a24a0f793/e-65-00o24-fig2.jpg

相似文献

1
N-(3-Bromo-1,4-dioxo-1,4-dihydro-2-naphth-yl)-2-chloro-N-(2-chloro-benzoyl)benzamide.N-（3-溴-1,4-二氧代-1,4-二氢-2-萘基）-2-氯-N-（2-氯苯甲酰基）苯甲酰胺
Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 6;65(Pt 1):o24. doi: 10.1107/S1600536808039214.
2
N-(3-Bromo-1,4-dioxo-1,4-dihydro-2-naphth-yl)-4-fluoro-N-(4-fluoro-benzo-yl)benzamide.N-（3-溴-1,4-二氧代-1,4-二氢-2-萘基）-4-氟-N-（4-氟苯甲酰基）苯甲酰胺
Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 10;65(Pt 2):o277. doi: 10.1107/S1600536809000117.
3
Crystal structure and Hirshfeld surface analysis of 3-(bromo-meth-yl)-2-[1,2-di-bromo-2-(6-nitro-benzo[][1,3]dioxol-5-yl)eth-yl]-1-(phenyl-sulfon-yl)-1-indole chloro-form 0.585-solvate.3-(溴甲基)-2-[1,2-二溴-2-(6-硝基苯并[1,3]二氧杂环戊烯-5-基)乙基]-1-(苯基磺酰基)-1-吲哚氯仿0.585溶剂合物的晶体结构和 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2023 Aug 17;79(Pt 9):813-816. doi: 10.1107/S2056989023007120. eCollection 2023 Sep 1.
4
Synthesis, crystal structure and computational analysis of 2,7-bis-(4-chloro-phen-yl)-3,3-dimethyl-1,4-diazepan-5-one.2,7-双-（4-氯苯基）-3,3-二甲基-1,4-二氮杂环庚烷-5-酮的合成、晶体结构及计算分析
Acta Crystallogr E Crystallogr Commun. 2023 Nov 30;79(Pt 12):1212-1217. doi: 10.1107/S2056989023010162. eCollection 2023 Dec 1.
5
Crystal structure and Hirshfeld surface analysis of 4-(4-chloro-phen-yl)-5-methyl-3-{4-[(2-methyl-phen-yl)meth-oxy]phen-yl}-1,2-oxazole.4-(4-氯苯基)-5-甲基-3-{4-[(2-甲基苯基)甲氧基]苯基}-1,2-恶唑的晶体结构与 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2021 Mar 5;77(Pt 4):346-350. doi: 10.1107/S2056989021002383. eCollection 2021 Apr 1.
6
Crystal structure of chlorfluazuron.定虫隆的晶体结构。
Acta Crystallogr E Crystallogr Commun. 2015 Jan 1;71(Pt 1):o55. doi: 10.1107/S2056989014026632.
7
4-Bromo-2-[(E)-(4-chloro-phen-yl)imino-meth-yl]phenol.4-溴-2-[(E)-(4-氯苯基)亚氨基甲基]苯酚
Acta Crystallogr Sect E Struct Rep Online. 2011 Feb 12;67(Pt 3):o597. doi: 10.1107/S1600536811004417.
8
2-Bromo-4-chloro-6-[(E)-(2-chloro-phen-yl)imino-meth-yl]phenol.2-溴-4-氯-6-[(E)-(2-氯苯基)亚氨基甲基]苯酚
Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 6;65(Pt 4):o667. doi: 10.1107/S1600536809007181.
9
4-Chloro-N-(2-methoxy-phen-yl)benzamide.4-氯-N-(2-甲氧基苯基)苯甲酰胺
Acta Crystallogr Sect E Struct Rep Online. 2009 Dec 19;66(Pt 1):o214. doi: 10.1107/S160053680905394X.
10
2-Amino-5-nitro-phenyl 2-chloro-phenyl ketone.2-氨基-5-硝基苯基 2-氯苯基酮
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 18;65(Pt 8):o1908-9. doi: 10.1107/S160053680902755X.

引用本文的文献

1
2-Chloro-N-(2-chloro-benzo-yl)-N-(2-ethyl-4-oxo-3,4-di-hydro-quinazolin-3-yl)benzamide.
Acta Crystallogr Sect E Struct Rep Online. 2014 Mar 29;70(Pt 4):o503-4. doi: 10.1107/S1600536814006035. eCollection 2014 Apr 1.
2
N-(1,4-Dioxo-1,4-dihydro-naphthalen-2-yl)benzamide.N-（1,4-二氧代-1,4-二氢萘-2-基）苯甲酰胺
Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2775-6. doi: 10.1107/S1600536812034150. Epub 2012 Aug 25.
3
N-Benzoyl-N-(1,4-dioxonaphthalen-2-yl)benzamide.
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2379. doi: 10.1107/S1600536812030231. Epub 2012 Jul 7.
4

本文引用的文献

1
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
2
Cytotoxicity of 2,3-dichloro-5,8-dimethoxy-1,4-naphthoquinone in androgen-dependent and -independent prostate cancer cell lines.2,3-二氯-5,8-二甲氧基-1,4-萘醌对雄激素依赖和非依赖前列腺癌细胞系的细胞毒性
Anticancer Res. 2007 May-Jun;27(3B):1537-46.
3
Synthesis and MEK1 inhibitory activities of imido-substituted 2-chloro-1,4-naphthoquinones.亚胺取代的2-氯-1,4-萘醌的合成及其对MEK1的抑制活性
2-Fluoro-N-(2-fluoro-benzo-yl)-N-(2-pyrid-yl)benzamide.2-氟-N-(2-氟苯甲酰基)-N-(2-吡啶基)苯甲酰胺
Acta Crystallogr Sect E Struct Rep Online. 2009 Feb 6;65(Pt 3):o486-7. doi: 10.1107/S1600536809002189.
5
2-Ferrocenyl-N-(2-ferrocenylbenzo-yl)-N-(4-methyl-2-pyrid-yl)benzamide.2-二茂铁基-N-（2-二茂铁基苯甲酰基）-N-（4-甲基-2-吡啶基）苯甲酰胺
Acta Crystallogr Sect E Struct Rep Online. 2009 Feb 28;65(Pt 3):m332-3. doi: 10.1107/S1600536809006278.
6
N-(3-Bromo-1,4-dioxo-1,4-dihydro-2-naphth-yl)-4-fluoro-N-(4-fluoro-benzo-yl)benzamide.N-（3-溴-1,4-二氧代-1,4-二氢-2-萘基）-4-氟-N-（4-氟苯甲酰基）苯甲酰胺
Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 10;65(Pt 2):o277. doi: 10.1107/S1600536809000117.
Bioorg Med Chem. 2003 Jul 17;11(14):3165-70. doi: 10.1016/s0968-0896(03)00267-0.
4
2-chloro-3-substituted-1,4-naphthoquinone inactivators of human cytomegalovirus protease.人巨细胞病毒蛋白酶的2-氯-3-取代-1,4-萘醌失活剂。
Bioorg Med Chem Lett. 1999 Oct 4;9(19):2863-6. doi: 10.1016/s0960-894x(99)00489-8.
5
Design of antineoplastic agents based on the "2-phenylnaphthalene-type" structural pattern. 4. Synthesis and biological activity of 2-chloro-3-(substituted phenoxy)-1, 4-naphthoquinones and related 5,8-dihydroxy-1,4-naphthoquinones.基于“2-苯基萘型”结构模式的抗肿瘤药物设计。4. 2-氯-3-（取代苯氧基）-1,4-萘醌及相关5,8-二羟基-1,4-萘醌的合成与生物活性
J Med Chem. 1999 Feb 11;42(3):405-8. doi: 10.1021/jm9804679.
6
Synthesis and antiplatelet, antiinflammatory, and antiallergic activities of substituted 3-chloro-5,8-dimethoxy-1,4-naphthoquinone and related compounds.取代的3-氯-5,8-二甲氧基-1,4-萘醌及相关化合物的合成、抗血小板、抗炎和抗过敏活性
Bioorg Med Chem. 1998 Dec;6(12):2261-9. doi: 10.1016/s0968-0896(98)80006-0.
7
Synthesis and antiplatelet, antiinflammatory, and antiallergic activities of 2-substituted 3-chloro-1,4-naphthoquinone derivatives.
Bioorg Med Chem. 1997 Dec;5(12):2111-20. doi: 10.1016/s0968-0896(97)00133-8.