• 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

4-[[({[(6-氯吡啶-3-基)甲基](甲基)氨基}(4-氟苯胺基)亚甲基)氨基]-3-苯基-2-硫亚基-2,3-二氢-1,3-噻唑-5-羧酸乙酯

Ethyl 4-[({[(6-chloro-pyridin-3-yl)meth-yl](meth-yl)amino}(4-fluoro-anilino)-methyl-idene)amino]-3-phenyl-2-sulfanyl-idene-2,3-dihydro-1,3-thia-zole-5-carboxyl-ate.

作者信息

He Hai-Feng, He Hong-Wu, Liang Ying, Yang Zi-Wen

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2281. doi: 10.1107/S1600536812026311. Epub 2012 Jun 30.

DOI:10.1107/S1600536812026311
PMID:22798925
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3394060/
Abstract

In the title compound, C(26)H(23)ClFN(5)O(2)S(2), the mean plane of the guanidine fragment makes dihedral angles of 58.94 (13), 78.37 (17) and 50.76 (15)°, respectively, with the attached thia-zole, pyridine and phenyl rings. The crystal structure features N-H⋯S and C-H⋯O hydrogen bonds and weak π-π stacking inter-actions [centroid-centroid separation = 3.7702 (17) Å]. The terminal methyl group of the eth-oxy-carbonyl group is disordered over two orientations in a 0.836 (10):0.164 (10) ratio.

摘要

在标题化合物C(26)H(23)ClFN(5)O(2)S(2)中，胍片段的平均平面分别与相连的噻唑环、吡啶环和苯环形成58.94 (13)°、78.37 (17)°和50.76 (15)°的二面角。晶体结构具有N-H⋯S和C-H⋯O氢键以及弱的π-π堆积相互作用[质心-质心间距 = 3.7702 (17) Å]。乙氧羰基的末端甲基在两种取向上无序，比例为0.836 (10):0.164 (10)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5fa4/3394060/33576f270aa4/e-68-o2281-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5fa4/3394060/67071231c3e2/e-68-o2281-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5fa4/3394060/33576f270aa4/e-68-o2281-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5fa4/3394060/67071231c3e2/e-68-o2281-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5fa4/3394060/33576f270aa4/e-68-o2281-fig2.jpg

相似文献

1
Ethyl 4-[({[(6-chloro-pyridin-3-yl)meth-yl](meth-yl)amino}(4-fluoro-anilino)-methyl-idene)amino]-3-phenyl-2-sulfanyl-idene-2,3-dihydro-1,3-thia-zole-5-carboxyl-ate.4-[[({[(6-氯吡啶-3-基)甲基](甲基)氨基}(4-氟苯胺基)亚甲基)氨基]-3-苯基-2-硫亚基-2,3-二氢-1,3-噻唑-5-羧酸乙酯
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2281. doi: 10.1107/S1600536812026311. Epub 2012 Jun 30.
2
Crystal structure of ethyl 2-cyano-3-[(1-eth-oxy-ethyl-idene)amino]-5-(3-meth-oxy-phen-yl)-7-methyl-5H-1,3-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.2-氰基-3-[(1-乙氧基-亚乙基)氨基]-5-(3-甲氧基苯基)-7-甲基-5H-1,3-噻唑并[3,2-a]嘧啶-6-羧酸乙酯的晶体结构
Acta Crystallogr E Crystallogr Commun. 2015 Mar 25;71(Pt 4):o256-7. doi: 10.1107/S2056989015005241. eCollection 2015 Apr 1.
3
A solid solution of ethyl and -methyl 2-[(4-meth-yl-pyridin-2-yl)amino]-4-(pyridin-2-yl)thia-zole-5-carboxyl-ate.乙基和2-[(4-甲基吡啶-2-基)氨基]-4-(吡啶-2-基)噻唑-5-羧酸甲酯的固溶体。
Acta Crystallogr E Crystallogr Commun. 2020 Jul 10;76(Pt 8):1255-1259. doi: 10.1107/S2056989020008956. eCollection 2020 Aug 1.
4
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.
5
Crystal structure of ethyl 5-(3-fluoro-phen-yl)-2-[(4-fluoro-phen-yl)methyl-idene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.5-(3-氟苯基)-2-[(4-氟苯基)亚甲基]-7-甲基-3-氧代-2H,3H,5H-[1,3]噻唑并[3,2-a]嘧啶-6-羧酸乙酯的晶体结构
Acta Crystallogr Sect E Struct Rep Online. 2014 Oct 24;70(Pt 11):o1187-8. doi: 10.1107/S1600536814023010. eCollection 2014 Nov 1.
6
Methyl 5-(4-hy-droxy-3-meth-oxy-phen-yl)-2-(4-meth-oxy-benzyl-idene)-7-methyl-3-oxo-2,3-dihydro-5H-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.5-（4-羟基-3-甲氧基苯基）-2-（4-甲氧基亚苄基）-7-甲基-3-氧代-2,3-二氢-5H-噻唑并[3,2-a]嘧啶-6-羧酸甲酯
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3444. doi: 10.1107/S1600536811048987. Epub 2011 Nov 25.
7
2-[6-(4-Chloro-phen-yl)imidazo[2,1-b][1,3]thia-zol-2-yl]-N'-[(E)-4-meth-oxy-benzyl-idene]acetohydrazide.2-[6-(4-氯苯基)咪唑并[2,1-b][1,3]噻唑-2-基]-N'-[(E)-4-甲氧基亚苄基]乙酰肼
Acta Crystallogr Sect E Struct Rep Online. 2010 Dec 18;67(Pt 1):o184-5. doi: 10.1107/S1600536810052359.
8
Methyl 2-(2-bromo-benzyl-idene)-5-(4-hy-droxy-phen-yl)-7-methyl-3-oxo-2,3-dihydro-5H-1,3-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.2-(2-溴苄叉基)-5-(4-羟基苯基)-7-甲基-3-氧代-2,3-二氢-5H-1,3-噻唑并[3,2-a]嘧啶-6-羧酸甲酯
Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1257-8. doi: 10.1107/S1600536812013311. Epub 2012 Mar 31.
9
Methyl (2Z)-2-(2-fluoro-4-meth-oxy-benzyl-idene)-5-(4-meth-oxy-phen-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.（2Z）-2-（2-氟-4-甲氧基-亚苄基）-5-（4-甲氧基苯基）-7-甲基-3-氧代-2,3-二氢-5H-[1,3]噻唑并[3,2-a]嘧啶-6-羧酸甲酯
Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):o1913-4. doi: 10.1107/S1600536811025141. Epub 2011 Jul 6.
10
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.

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.