• 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

2-甲基-4-苯基喹啉-3-羧酸乙酯

Ethyl 2-methyl-4-phenyl-quinoline-3-carboxyl-ate.

作者信息

Bazgir Ayoob

机构信息

Department of Chemistry, Islamic Azad University, Dorood Branch, Dorood 688173551, Iran.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 May 23;65(Pt 6):o1382. doi: 10.1107/S1600536809018625.

DOI:10.1107/S1600536809018625
PMID:21583230
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969813/
Abstract

In the mol-ecule of the title compound, C(19)H(17)NO(2), the quinoline ring system is planar [maximum deviation 0.021 (3) Å] and oriented with respect to the phenyl ring at a dihedral angle of 80.44 (4)°. Intra-molecular C-H⋯O inter-actions result in the formation of five- and six-membered rings having planar and envelope conformations, respectively. In the crystal structure, inter-molecular C-H⋯O inter-actions link the mol-ecules into centrosymmetric dimers forming R(2) (2)(12) ring motifs. π-π contacts between the rings of the quinoline system [centroid-to-centroid distance = 3.812 (1) Å] may further stabilize the structure. Two weak C-H⋯π inter-actions are also found.

摘要

在标题化合物C(19)H(17)NO(2)的分子中,喹啉环系呈平面状[最大偏差0.021 (3) Å],相对于苯环的二面角为80.44 (4)°。分子内C-H⋯O相互作用分别导致形成具有平面和信封构象的五元环和六元环。在晶体结构中,分子间C-H⋯O相互作用将分子连接成中心对称二聚体,形成R(2) (2)(12)环基序。喹啉体系环之间的π-π接触[质心到质心距离 = 3.812 (1) Å]可能进一步稳定结构。还发现了两种弱C-H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2190/2969813/b30e5eb786d4/e-65-o1382-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2190/2969813/84f1bb9bdb75/e-65-o1382-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2190/2969813/b30e5eb786d4/e-65-o1382-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2190/2969813/84f1bb9bdb75/e-65-o1382-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2190/2969813/b30e5eb786d4/e-65-o1382-fig2.jpg

相似文献

1
Ethyl 2-methyl-4-phenyl-quinoline-3-carboxyl-ate.2-甲基-4-苯基喹啉-3-羧酸乙酯
Acta Crystallogr Sect E Struct Rep Online. 2009 May 23;65(Pt 6):o1382. doi: 10.1107/S1600536809018625.
2
Ethyl 4-hydr-oxy-9-tosyl-9H-carbazole-3-carboxyl-ate.4-羟基-9-对甲苯磺酰基-9H-咔唑-3-羧酸乙酯
Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 6;65(Pt 7):o1515-6. doi: 10.1107/S1600536809021035.
3
2-(1H-Benzimidazol-1-yl)-1-(2-furyl)ethanone O-propyloxime.2-(1H-苯并咪唑-1-基)-1-(2-呋喃基)乙酮O-丙基肟
Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 6;65(Pt 7):o1517-8. doi: 10.1107/S1600536809020844.
4
6-(4-Pyrid-yl)-3-(3,4,5-trimethoxy-phen-yl)-1,2,4-triazolo[3,4-b][1,3,4]thia-diazole.6-(4-吡啶基)-3-(3,4,5-三甲氧基苯基)-1,2,4-三唑并[3,4-b][1,3,4]噻二唑
Acta Crystallogr Sect E Struct Rep Online. 2008 Jul 31;64(Pt 8):o1634. doi: 10.1107/S1600536808023544.
5
4-(2-Iodo-benzene-sulfonamido)benzoic acid monohydrate.4-(2-碘苯磺酰胺基)苯甲酸一水合物
Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 8;65(Pt 2):o230. doi: 10.1107/S1600536808043754.
6
Ethyl 1-(2-hy-droxy-eth-yl)-2-p-tolyl-1H-benzimidazole-5-carboxyl-ate.1-(2-羟乙基)-2-对甲苯基-1H-苯并咪唑-5-羧酸乙酯
Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 5;66(Pt 7):o1590-1. doi: 10.1107/S1600536810020799.
7
Ethyl 1-oxo-1,2,3,4-tetra-hydro-9H-carbazole-3-carboxyl-ate.1-氧代-1,2,3,4-四氢-9H-咔唑-3-羧酸乙酯
Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 27;65(Pt 7):o1702-3. doi: 10.1107/S160053680902385X.
8
Methyl 4-anilino-3-nitro-benzoate.4-苯胺基-3-硝基苯甲酸甲酯。
Acta Crystallogr Sect E Struct Rep Online. 2009 May 23;65(Pt 6):o1381. doi: 10.1107/S1600536809018923.
9
4-(4-Fluoro-phen-yl)-2-oxo-1,2,5,6-tetra-hydro-benzo[h]quinoline-3-carbonitrile.4-(4-氟苯基)-2-氧代-1,2,5,6-四氢苯并[h]喹啉-3-腈
Acta Crystallogr Sect E Struct Rep Online. 2009 May 20;65(Pt 6):o1354. doi: 10.1107/S1600536809017991.
10
Ethyl 4-oxo-8-trifluoro-methyl-1,4-dihydro-quinoline-3-carboxyl-ate.
Acta Crystallogr Sect E Struct Rep Online. 2012 Dec 1;68(Pt 12):o3304-5. doi: 10.1107/S1600536812045321. Epub 2012 Nov 10.

本文引用的文献

1
Structure validation in chemical crystallography.化学晶体学中的结构验证
Acta Crystallogr D Biol Crystallogr. 2009 Feb;65(Pt 2):148-55. doi: 10.1107/S090744490804362X. Epub 2009 Jan 20.
2
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.
3
Quinolines as potent 5-lipoxygenase inhibitors: synthesis and biological profile of L-746,530.
Bioorg Med Chem Lett. 1998 May 19;8(10):1255-60. doi: 10.1016/s0960-894x(98)00201-7.