• 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-[3-(3,5-二硝基苯甲酰基)硫代脲基]苯甲酸乙酯

Ethyl 2-[3-(3,5-Dinitrobenzo-yl)thio-ureido]benzoate.

作者信息

Saeed Sohail, Rashid Naghmana, Bhatti Moazzam H, Wong Wing-Tak

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1114. doi: 10.1107/S1600536811012918. Epub 2011 Apr 13.

DOI:10.1107/S1600536811012918
PMID:21754430
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3089348/
Abstract

In the title compound, C(17)H(14)N(4)O(7)S, the dihedral angle between the two benzene rings is 9.04 (15)°. The centroid-centroid distance of 3.9825 (19) Å between nearly parallel benzene rings of adjacent mol-ecules suggests the existence of π-π stacking. Inter-molecular and intra-mol-ecular N-H⋯O hydrogen bonding is present in the structure. The eth-oxy group is disordered over two sets of sites with an occupancy ratio of 0.580 (15):0.420 (15). The crystal studied was an inversion twin.

摘要

在标题化合物C(17)H(14)N(4)O(7)S中，两个苯环之间的二面角为9.04 (15)°。相邻分子中近乎平行的苯环之间的质心-质心距离为3.9825 (19) Å，表明存在π-π堆积。结构中存在分子间和分子内的N-H⋯O氢键。乙氧基在两组位置上无序，占有率为0.580 (15):0.420 (15)。所研究的晶体为倒反孪晶。

相似文献

1
Ethyl 2-[3-(3,5-Dinitrobenzo-yl)thio-ureido]benzoate.2-[3-(3,5-二硝基苯甲酰基)硫代脲基]苯甲酸乙酯
Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1114. doi: 10.1107/S1600536811012918. Epub 2011 Apr 13.
2
N-(2-{[5-Bromo-2-(morpholin-4-yl)pyrimidin-4-yl]sulfan-yl}-4-meth-oxy-phen-yl)-4-methyl-benzene-sulfonamide.N-（2-{[5-溴-2-（吗啉-4-基）嘧啶-4-基]硫烷基}-4-甲氧基苯基）-4-甲基苯磺酰胺
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2590-1. doi: 10.1107/S1600536812033375. Epub 2012 Jul 28.
3
1-[2-Oxo-5-(trifluoro-meth-oxy)indolin-3-yl-idene]-4-[4-(trifluoro-methyl)-phen-yl]thio-semicarbazide.1-[2-氧代-5-(三氟甲氧基)吲哚啉-3-亚基]-4-[4-(三氟甲基)苯基]硫代氨基脲
Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 23;66(Pt 7):o1749. doi: 10.1107/S1600536810023494.
4
Ethyl 2-[3-(4-nitro-benzo-yl)thio-ureido]benzoate.2-[3-(4-硝基-苯甲酰基)硫代-脲基]苯甲酸乙酯
Acta Crystallogr Sect E Struct Rep Online. 2010 Mar 31;66(Pt 4):o980. doi: 10.1107/S1600536810011116.
5
N-(2-{[5-Bromo-2-(piperidin-1-yl)pyrimidin-4-yl]sulfan-yl}-4-meth-oxy-phen-yl)-2,4,6-trimethyl-benzene-sulfonamide.N-（2-{[5-溴-2-（哌啶-1-基）嘧啶-4-基]硫基}-4-甲氧基苯基）-2,4,6-三甲基苯磺酰胺
Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2767. doi: 10.1107/S1600536812036185. Epub 2012 Aug 25.
6
N-(2-{[5-Bromo-2-(morpholin-4-yl)pyrimidin-4-yl]sulfan-yl}-4-meth-oxy-phen-yl)-4-chloro-benzene-sulfonamide.N-（2-{[5-溴-2-（吗啉-4-基）嘧啶-4-基]硫烷基}-4-甲氧基苯基）-4-氯苯磺酰胺
Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2800. doi: 10.1107/S1600536812036689. Epub 2012 Aug 31.
7
N-(2-{[5-Bromo-2-(piperidin-1-yl)pyrimidin-4-yl]sulfan-yl}-4-meth-oxy-phen-yl)-4-methyl-benzene-sulfonamide.N-（2-{[5-溴-2-（哌啶-1-基）嘧啶-4-基]硫烷基}-4-甲氧基苯基）-4-甲基苯磺酰胺
Acta Crystallogr Sect E Struct Rep Online. 2012 Oct 1;68(Pt 10):o2831. doi: 10.1107/S1600536812037257. Epub 2012 Sep 1.
8
1-[4-(Difluoro-meth-oxy)phen-yl]-N-(3,4-dimeth-oxy-phen-yl)-1H-1,2,4-triazole-3-carboxamide.1-[4-(二氟甲氧基)苯基]-N-(3,4-二甲氧基苯基)-1H-1,2,4-三唑-3-甲酰胺
Acta Crystallogr Sect E Struct Rep Online. 2010 Aug 11;66(Pt 9):o2267-8. doi: 10.1107/S1600536810029661.
9
N-Cyclo-hexyl-N'-(4-nitro-benzo-yl)thio-urea.N-环己基-N'-(4-硝基苯甲酰基)硫脲
Acta Crystallogr Sect E Struct Rep Online. 2010 Apr 10;66(Pt 5):o1031-2. doi: 10.1107/S1600536810012249.
10
N-(2-{[5-Bromo-2-(piperidin-1-yl)pyrimidin-4-yl]sulfan-yl}-4-meth-oxy-phen-yl)benzene-sulfonamide.N-（2-{[5-溴-2-（哌啶-1-基）嘧啶-4-基]硫基}-4-甲氧基苯基）苯磺酰胺
Acta Crystallogr Sect E Struct Rep Online. 2012 Nov 1;68(Pt 11):o3209-10. doi: 10.1107/S1600536812043668. Epub 2012 Oct 27.

引用本文的文献

1
Single-Crystal Investigation, Hirshfeld Surface Analysis, and DFT Study of Third-Order NLO Properties of Unsymmetrical Acyl Thiourea Derivatives.不对称酰基硫脲衍生物三阶非线性光学性质的单晶研究、 Hirshfeld表面分析及密度泛函理论研究
ACS Omega. 2021 Nov 12;6(46):31211-31225. doi: 10.1021/acsomega.1c04884. eCollection 2021 Nov 23.

本文引用的文献

1
Ethyl 2-[3-(4-nitro-benzo-yl)thio-ureido]benzoate.2-[3-(4-硝基-苯甲酰基)硫代-脲基]苯甲酸乙酯
Acta Crystallogr Sect E Struct Rep Online. 2010 Mar 31;66(Pt 4):o980. doi: 10.1107/S1600536810011116.
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.