• 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-((2Z,5Z)-2-{(E)-2-[1-(4-羟基苯基)亚乙基]肼-1-亚基}-4-氧代-3-苯基-1,3-噻唑烷-5-亚基)乙酸甲酯

Methyl 2-((2Z,5Z)-2-{(E)-2-[1-(4-hy-droxy-phen-yl)ethyl-idene]hydrazin-1-yl-idene}-4-oxo-3-phenyl-1,3-thia-zolidin-5-yl-idene)acetate.

作者信息

Mohamed Shaaban K, Mague Joel T, Akkurt Mehmet, Hassan Alaa A, Albayati Mustafa R

机构信息

Chemistry and Environmental Division, Manchester Metropolitan University, Manchester, M1 5GD, England ; Chemistry Department, Faculty of Science, Minia University, 61519 El-Minia, Egypt.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Sep 18;69(Pt 10):o1553-4. doi: 10.1107/S1600536813025270. eCollection 2013.

DOI:10.1107/S1600536813025270
PMID:24098236
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3790417/
Abstract

In the title compound, C20H17N3O4S, all non-H atoms, except those of the phenyl ring, are approximately coplanar [maximum deviation = 0.2214 (1) Å], and the dihedral angle between their best plane and the benzene ring is 53.13 (1)°. A short intra-molecular O⋯S contact of 2.838 (1) Å is formed between the ester carbonyl O atom and the S atom of the thia-zolidine ring. In the crystal, mol-ecules associated via O-H⋯O, C-H⋯O and C-H⋯S hydrogen bonds form layers parallel to (010), with only C-H⋯O-type short contacts between the mol-ecules in adjacent layers.

摘要

在标题化合物C₂₀H₁₇N₃O₄S中,除苯环的原子外,所有非氢原子近似共面[最大偏差 = 0.2214 (1) Å],其最佳平面与苯环之间的二面角为53.13 (1)°。酯羰基O原子与噻唑烷环的S原子之间形成了2.838 (1) Å的短分子内O⋯S接触。在晶体中,分子通过O—H⋯O、C—H⋯O和C—H⋯S氢键缔合形成平行于(010)的层,相邻层的分子之间仅有C—H⋯O型短接触。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c441/3790417/791a85dd2647/e-69-o1553-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c441/3790417/171e80bec8f8/e-69-o1553-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c441/3790417/791a85dd2647/e-69-o1553-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c441/3790417/171e80bec8f8/e-69-o1553-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c441/3790417/791a85dd2647/e-69-o1553-fig2.jpg

相似文献

1
Methyl 2-((2Z,5Z)-2-{(E)-2-[1-(4-hy-droxy-phen-yl)ethyl-idene]hydrazin-1-yl-idene}-4-oxo-3-phenyl-1,3-thia-zolidin-5-yl-idene)acetate.2-((2Z,5Z)-2-{(E)-2-[1-(4-羟基苯基)亚乙基]肼-1-亚基}-4-氧代-3-苯基-1,3-噻唑烷-5-亚基)乙酸甲酯
Acta Crystallogr Sect E Struct Rep Online. 2013 Sep 18;69(Pt 10):o1553-4. doi: 10.1107/S1600536813025270. eCollection 2013.
2
Methyl (2Z)-((2Z)-2-{(2E)-[1-(4-methyl-phen-yl)ethyl-idene]hydrazinyl-idene}-4-oxo-3-phenyl-1,3-thia-zolidin-5-yl-idene)ethano-ate.(2Z)-((2Z)-2-{(2E)-[1-(4-甲基苯基)亚乙基]肼叉基}-4-氧代-3-苯基-1,3-噻唑烷-5-亚基)乙酸甲酯
Acta Crystallogr Sect E Struct Rep Online. 2013 Aug 10;69(Pt 9):o1401-2. doi: 10.1107/S1600536813021533. eCollection 2013.
3
Methyl 2-((2Z,5Z)-4-oxo-3-phenyl-2-{2-[(1E)-1,2,3,4-tetra-hydro-naphthalen-1-yl-idene]hydrazin-1-yl-idene}-1,3-thia-zolidin-5-yl-idene)acetate.2-((2Z,5Z)-4-氧代-3-苯基-2-{2-[(1E)-1,2,3,4-四氢萘-1-亚基]肼-1-亚基}-1,3-噻唑烷-5-亚基)乙酸甲酯
Acta Crystallogr Sect E Struct Rep Online. 2014 Mar 15;70(Pt 4):o436-7. doi: 10.1107/S1600536814005285. eCollection 2014 Apr 1.
4
Crystal structures of two ()-2-(4-oxo-1,3-thia-zolidin-2-yl-idene)acetamides.两种()-2-(4-氧代-1,3-噻唑烷-2-亚基)乙酰胺的晶体结构
Acta Crystallogr E Crystallogr Commun. 2017 Nov 10;73(Pt 12):1850-1854. doi: 10.1107/S2056989017016061. eCollection 2017 Dec 1.
5
(5Z)-5-(2-Hy-droxy-benzyl-idene)-3-(4-methyl-phen-yl)-2-sulfanyl-idene-1,3-thia-zolidin-4-one.(5Z)-5-(2-羟基苄叉基)-3-(4-甲基苯基)-2-硫亚基-1,3-噻唑烷-4-酮
Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1818. doi: 10.1107/S1600536812021630. Epub 2012 May 19.
6
Ethyl 2-[2-(4-hy-droxy-3-meth-oxy-benzyl-idene)hydrazin-1-yl-idene]-3,4-dimethyl-2,3-dihydro-1,3-thia-zole-5-carboxyl-ate.2-[2-(4-羟基-3-甲氧基苄叉基)肼-1-亚基]-3,4-二甲基-2,3-二氢-1,3-噻唑-5-羧酸乙酯
Acta Crystallogr Sect E Struct Rep Online. 2012 Nov 1;68(Pt 11):o3213-4. doi: 10.1107/S1600536812043772. Epub 2012 Oct 27.
7
Dimethyl (2Z)-2-[4-((1Z)-1-{2-[(2Z,5Z)-5-(2-meth-oxy-2-oxo-ethyl-idene)-4-oxo-3-phenyl-1,3-thia-zolidin-2-yl-idene]hydra-zin-1-yl-idene}eth-yl)anilino]but-2-ene-dio-ate.二甲基(2Z)-2-[4-((1Z)-1-{2-[(2Z,5Z)-5-(2-甲氧基-2-氧代乙基叉)-4-氧代-3-苯基-1,3-噻唑烷-2-亚基]肼-1-亚基}乙基)苯胺基]丁-2-烯二酸酯
Acta Crystallogr Sect E Struct Rep Online. 2013 Nov 30;69(Pt 12):o1844-5. doi: 10.1107/S1600536813032042.
8
Crystal structure of (2Z)-2-{(5Z)-5-[3-fluoro-2-(4-phenyl-piperidin-1-yl)benzyl-idene]-4-oxo-3-(p-tol-yl)-1,3-thia-zolidin-2-yl-idene}-N-(p-tol-yl)ethane-thio-amide dimethyl sulfoxide monosolvate.(2Z)-2-{(5Z)-5-[3-氟-2-(4-苯基-哌啶-1-基)亚苄基]-4-氧代-3-(对甲苯基)-1,3-噻唑烷-2-亚基}-N-(对甲苯基)乙硫酰胺二甲基亚砜单溶剂合物的晶体结构
Acta Crystallogr E Crystallogr Commun. 2015 Sep 12;71(Pt 10):o745-6. doi: 10.1107/S2056989015016850. eCollection 2015 Oct 1.
9
Ethyl 4-hy-droxy-6-(4-hy-droxy-phen-yl)-4-trifluoro-methyl-2-sulfanyl-idene-1,3-diazinane-5-carboxyl-ate ethanol monosolvate.4-羟基-6-(4-羟基苯基)-4-三氟甲基-2-硫亚基-1,3-二嗪烷-5-羧酸乙酯乙醇单溶剂合物
Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1280-1. doi: 10.1107/S1600536811015376. Epub 2011 Apr 29.
10
4-({(Z)-5-[(Z)-3-Eth-oxy-4-hy-droxy-benzyl-idene]-3-methyl-4-oxo-1,3-thia-zolidin-2-yl-idene}amino)-benzoic acid dimethyl-formamide monosolvate.4 - ({(Z)-5 - [(Z)-3 - 乙氧基 - 4 - 羟基 - 亚苄基] - 3 - 甲基 - 4 - 氧代 - 1,3 - 噻唑烷 - 2 - 亚基}氨基) - 苯甲酸二甲酰胺单溶剂合物
Acta Crystallogr Sect E Struct Rep Online. 2012 Dec 1;68(Pt 12):o3417-8. doi: 10.1107/S1600536812047307. Epub 2012 Nov 24.

引用本文的文献

1
Crystal structure of methyl ()-2-[()-3-methyl-2-({()-1-[(*)-4-methyl-cyclo-hex-3-en-1-yl]ethyl-idene}hydrazinyl-idene)-4-oxo-thia-zolidin-5-yl-idene]acetate.()-2-[()-3-甲基-2-({()-1-[(*)-4-甲基-环己-3-烯-1-基]亚乙基}肼叉)-4-氧代-噻唑烷-5-基亚甲基]乙酸甲酯的晶体结构
Acta Crystallogr E Crystallogr Commun. 2017 Oct 13;73(Pt 11):1626-1629. doi: 10.1107/S2056989017014311. eCollection 2017 Nov 1.
2
Methyl (2Z)-2-{(2Z)-3-[(cyclo-pentyl-idene)amino]-4-oxo-2-phenyl-imino-1,3-thia-zol-idin-5-yl-idene}acetate.(2Z)-2-{(2Z)-3-[(环戊叉基)氨基]-4-氧代-2-苯基亚氨基-1,3-噻唑烷-5-亚基}乙酸甲酯
Acta Crystallogr Sect E Struct Rep Online. 2014 Feb 26;70(Pt 3):o366-7. doi: 10.1107/S1600536814004048. eCollection 2014 Mar 1.

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
Discovery of small molecule integrin alphavbeta3 antagonists as novel anticancer agents.发现小分子整合素αvβ3拮抗剂作为新型抗癌药物。
J Med Chem. 2006 Jul 27;49(15):4526-34. doi: 10.1021/jm051296s.
4
Discovery of 2,3-diaryl-1,3-thiazolidin-4-ones as potent anti-HIV-1 agents.
Bioorg Med Chem Lett. 2001 Jul 9;11(13):1793-6. doi: 10.1016/s0960-894x(01)00304-3.
5
Synthesis and antihistaminic activity of some thiazolidin-4-ones.某些噻唑烷-4-酮的合成及其抗组胺活性
J Med Chem. 1992 Jul 24;35(15):2910-2. doi: 10.1021/jm00093a025.