• 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-氨基-3-(对甲苯氧基甲基)-1H-1,2,4-三唑-5(4H)-硫酮

4-Amino-3-(p-tolyl-oxymeth-yl)-1H-1,2,4-triazole-5(4H)-thione.

作者信息

Fun Hoong-Kun, Goh Jia Hao, Vijesh A M, Padaki Mahesh, Isloor Arun M

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 18;65(Pt 8):o1918-9. doi: 10.1107/S1600536809027664.

DOI:10.1107/S1600536809027664
PMID:21583604
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977210/
Abstract

In the title triazole compound, C(10)H(12)N(4)OS, the triazole ring is essentially planar [maximum deviation = 0.009 (1) Å] and forms a dihedral angle of 5.78 (4)° with the benzene ring. In the crystal structure, mol-ecules are linked into dimers by centrosymmetric N-H⋯S inter-actions. These dimers are linked into two-mol-ecule-wide tapes by N-H⋯N and S⋯S [3.2634 (3) Å] inter-actions. In addition, they are further inter-connected by weak N-H⋯S inter-actions into sheets parallel to the ab plane. The crystal structure is further stabilized by weak inter-molecular C-H⋯π inter-actions.

摘要

在标题三唑化合物C(10)H(12)N(4)OS中，三唑环基本呈平面状[最大偏差 = 0.009 (1) Å]，与苯环形成5.78 (4)°的二面角。在晶体结构中，分子通过中心对称的N-H⋯S相互作用连接成二聚体。这些二聚体通过N-H⋯N和S⋯S [3.2634 (3) Å]相互作用连接成两分子宽的带。此外，它们通过弱的N-H⋯S相互作用进一步相互连接成平行于ab平面的片层。晶体结构通过弱的分子间C-H⋯π相互作用进一步稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bfb1/2977210/a88c13c3efba/e-65-o1918-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bfb1/2977210/24f63c5e11e9/e-65-o1918-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bfb1/2977210/a88c13c3efba/e-65-o1918-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bfb1/2977210/24f63c5e11e9/e-65-o1918-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bfb1/2977210/a88c13c3efba/e-65-o1918-fig2.jpg

相似文献

1
4-Amino-3-(p-tolyl-oxymeth-yl)-1H-1,2,4-triazole-5(4H)-thione.4-氨基-3-(对甲苯氧基甲基)-1H-1,2,4-三唑-5(4H)-硫酮
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 18;65(Pt 8):o1918-9. doi: 10.1107/S1600536809027664.
2
4-Amino-3-(o-tolyl-oxymeth-yl)-1H-1,2,4-triazole-5(4H)-thione.4-氨基-3-（邻甲苯氧基甲基）-1H-1,2,4-三唑-5（4H）-硫酮
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 18;65(Pt 8):o1910-1. doi: 10.1107/S1600536809027275.
3
4-Amino-3-(1-naphthyl-oxymeth-yl)-1H-1,2,4-triazole-5(4H)-thione.4-氨基-3-(1-萘氧基甲基)-1H-1,2,4-三唑-5(4H)-硫酮
Acta Crystallogr Sect E Struct Rep Online. 2009 Dec 4;66(Pt 1):o29-30. doi: 10.1107/S1600536809051368.
4
4-Amino-3-[(4-methoxy-phen-yl)amino-meth-yl]-1H-1,2,4-triazole-5(4H)-thione.4-氨基-3-[(4-甲氧基-苯基)氨基甲基]-1H-1,2,4-三唑-5(4H)-硫酮
Acta Crystallogr Sect E Struct Rep Online. 2009 Aug 22;65(Pt 9):o2213. doi: 10.1107/S1600536809032607.
5
Crystal structure of 4-({(1E,2E)-3-[3-(4-fluoro-phen-yl)-1-isopropyl-1H-indol-2-yl]allyl-idene}amino)-5-methyl-1H-1,2,4-triazole-5(4H)-thione.4-({(1E,2E)-3-[3-(4-氟苯基)-1-异丙基-1H-吲哚-2-基]亚烯丙基}氨基)-5-甲基-1H-1,2,4-三唑-5(4H)-硫酮的晶体结构
Acta Crystallogr E Crystallogr Commun. 2015 Oct 31;71(Pt 11):1411-3. doi: 10.1107/S2056989015020101. eCollection 2015 Nov 1.
6
4-Benzyl-3-(2-fur-yl)-1H-1,2,4-triazole-5(4H)-thione hemihydrate.4-苄基-3-(2-呋喃基)-1H-1,2,4-三唑-5(4H)-硫酮半水合物
Acta Crystallogr Sect E Struct Rep Online. 2008 May 3;64(Pt 6):o952-3. doi: 10.1107/S1600536808012361.
7
Crystal structure of 3-(adamantan-1-yl)-4-(4-chloro-phen-yl)-1H-1,2,4-triazole-5(4H)-thione.3-（金刚烷-1-基）-4-（4-氯苯基）-1H-1,2,4-三唑-5（4H）-硫酮的晶体结构
Acta Crystallogr E Crystallogr Commun. 2015 Jan 17;71(Pt 2):o115-6. doi: 10.1107/S2056989015000596. eCollection 2015 Feb 1.
8
3-(1-Benzofuran-2-yl)-1H-1,2,4-triazole-5(4H)-thione monohydrate.3-(1-苯并呋喃-2-基)-1H-1,2,4-三唑-5(4H)-硫酮一水合物
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2067. doi: 10.1107/S1600536812025305. Epub 2012 Jun 13.
9
4-[(E)-2,6-Dichloro-benzyl-ideneamino]-3-{1-[4-(2-methyl-prop-yl)phen-yl]eth-yl}-1H-1,2,4-triazole-5(4H)-thione.
Acta Crystallogr Sect E Struct Rep Online. 2008 Jul 16;64(Pt 8):o1503-4. doi: 10.1107/S1600536808021272.
10
3-{1-[4-(2-Methyl-prop-yl)phen-yl]eth-yl}-1-(morpholinometh-yl)-4-(4-nitro-benzyl-ideneamino)-1H-1,2,4-triazole-5(4H)-thione.3-{1-[4-(2-甲基丙基)苯基]乙基}-1-(吗啉甲基)-4-(4-硝基亚苄基氨基)-1H-1,2,4-三唑-5(4H)-硫酮
Acta Crystallogr Sect E Struct Rep Online. 2009 Feb 11;65(Pt 3):o495-6. doi: 10.1107/S1600536809003870.

引用本文的文献

1
N-[(4-Amino-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-3-yl)meth-yl]-4-methyl-benzamide.N-[(4-氨基-5-硫代亚基-4,5-二氢-1H-1,2,4-三唑-3-基)甲基]-4-甲基苯甲酰胺
Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 4;66(Pt 10):o2501-2. doi: 10.1107/S1600536810035014.
2
(E)-3-Methyl-4-[(2-oxidoquinolin-1-ium-3-yl)methyl-eneamino]-1H-1,2,4-triazole-5(4H)-thione N,N-dimethyl-formamide solvate.
Acta Crystallogr Sect E Struct Rep Online. 2009 Nov 28;65(Pt 12):o3235-6. doi: 10.1107/S1600536809050090.
3
4-Amino-3-[(4-methoxy-phen-yl)amino-meth-yl]-1H-1,2,4-triazole-5(4H)-thione.4-氨基-3-[(4-甲氧基-苯基)氨基甲基]-1H-1,2,4-三唑-5(4H)-硫酮

本文引用的文献

1
3-[1-(4-Isobutyl-phen-yl)eth-yl]-1H-1,2,4-triazole-5(4H)-thione.3-[1-(4-异丁基苯基)乙基]-1H-1,2,4-三唑-5(4H)-硫酮
Acta Crystallogr Sect E Struct Rep Online. 2009 Feb 28;65(Pt 3):o618. doi: 10.1107/S1600536809006394.
2
4-Amino-3-{1-[4-(2-methyl-prop-yl)phen-yl]eth-yl}-1H-1,2,4-triazole-5(4H)-thione.4-氨基-3-{1-[4-(2-甲基丙基)苯基]乙基}-1H-1,2,4-三唑-5(4H)-硫酮
Acta Crystallogr Sect E Struct Rep Online. 2008 Jul 26;64(Pt 8):o1590-1. doi: 10.1107/S1600536808022794.
3
Structure validation in chemical crystallography.
Acta Crystallogr Sect E Struct Rep Online. 2009 Aug 22;65(Pt 9):o2213. doi: 10.1107/S1600536809032607.
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.
4
Synthesis and antioxidant properties of novel N-methyl-1,3,4-thiadiazol-2-amine and 4-methyl-2H-1,2,4-triazole-3(4H)-thione derivatives of benzimidazole class.新型苯并咪唑类N-甲基-1,3,4-噻二唑-2-胺和4-甲基-2H-1,2,4-三唑-3(4H)-硫酮衍生物的合成及其抗氧化性能
Bioorg Med Chem. 2008 Apr 15;16(8):4294-303. doi: 10.1016/j.bmc.2008.02.077. Epub 2008 Feb 29.
5
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.
6
Condensed bridgehead nitrogen heterocyclic system: synthesis and pharmacological activities of 1,2,4-triazolo-[3,4-b]-1,3,4-thiadiazole derivatives of ibuprofen and biphenyl-4-yloxy acetic acid.稠合桥头氮杂环体系：布洛芬和联苯-4-基氧基乙酸的1,2,4-三唑并-[3,4-b]-1,3,4-噻二唑衍生物的合成及药理活性
Eur J Med Chem. 2008 Oct;43(10):2056-66. doi: 10.1016/j.ejmech.2007.09.025. Epub 2007 Oct 6.
7
Synthesis and antimicrobial activity of novel sulfone-linked bis heterocycles.新型砜连接双杂环的合成与抗菌活性
Eur J Med Chem. 2008 May;43(5):917-24. doi: 10.1016/j.ejmech.2007.06.011. Epub 2007 Jul 6.
8
Synthesis, determination of the lipophilicity, anticancer and antimicrobial properties of some fused 1,2,4-triazole derivatives.某些稠合1,2,4-三唑衍生物的合成、亲脂性测定、抗癌及抗菌性能
Eur J Med Chem. 2008 Feb;43(2):404-19. doi: 10.1016/j.ejmech.2007.03.033. Epub 2007 Apr 14.