• 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

1,3,5-三[（1-苯并三唑-1-基）甲基]-2,4,6-三乙基苯的合成与晶体结构

Synthesis and crystal structure of 1,3,5-tris-[(1-benzotriazol-1-yl)meth-yl]-2,4,6-tri-ethyl-benzene.

作者信息

Koch Niklas, Förster Sebastian, Mazik Monika

机构信息

Institut für Organische Chemie Technische Universität Bergakademie, Freiberg, Leipziger Str 29 09599 Freiberg/Sachsen Germany.

出版信息

Acta Crystallogr E Crystallogr Commun. 2024 Oct 31;80(Pt 11):1240-1243. doi: 10.1107/S2056989024009988. eCollection 2024 Oct 1.

DOI:10.1107/S2056989024009988
PMID:39712155
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11660467/
Abstract

In the crystal structure of the title compound, CHN, the tripodal mol-ecule exists in a conformation in which the substituents attached to the central arene ring are arranged in an alternating order above and below the ring plane. The three benzotriazolyl moieties are inclined at angles of 88.3 (1), 85.7 (1) and 82.1 (1)° with respect to the mean plane of the benzene ring. In the crystal, only weak mol-ecular cross-linking involving C-H⋯N hydrogen bonds is observed.

摘要

在标题化合物CHN的晶体结构中，三脚架状分子以一种构象存在，其中连接到中心芳烃环上的取代基在环平面上方和下方交替排列。三个苯并三唑基部分相对于苯环的平均平面倾斜角度分别为88.3 (1)°、85.7 (1)°和82.1 (1)°。在晶体中，仅观察到涉及C-H⋯N氢键的弱分子交联。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e4cf/11660467/1cf2f1ec1763/e-80-01240-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e4cf/11660467/d5d34d786f18/e-80-01240-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e4cf/11660467/945df5a84b2d/e-80-01240-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e4cf/11660467/1cf2f1ec1763/e-80-01240-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e4cf/11660467/d5d34d786f18/e-80-01240-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e4cf/11660467/945df5a84b2d/e-80-01240-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e4cf/11660467/1cf2f1ec1763/e-80-01240-fig3.jpg

相似文献

1
Synthesis and crystal structure of 1,3,5-tris-[(1-benzotriazol-1-yl)meth-yl]-2,4,6-tri-ethyl-benzene.1,3,5-三[（1-苯并三唑-1-基）甲基]-2,4,6-三乙基苯的合成与晶体结构
Acta Crystallogr E Crystallogr Commun. 2024 Oct 31;80(Pt 11):1240-1243. doi: 10.1107/S2056989024009988. eCollection 2024 Oct 1.
2
Synthesis and crystal structure of 1,3-bis-(acet-oxymeth-yl)-5-{[(4,6-di-methyl-pyridin-2-yl)amino]-methyl}-2,4,6-tri-ethyl-benzene.1,3-双（乙酰氧基甲基）-5-{[（4,6-二甲基吡啶-2-基）氨基]甲基}-2,4,6-三乙基苯的合成与晶体结构
Acta Crystallogr E Crystallogr Commun. 2024 Aug 13;80(Pt 9):947-950. doi: 10.1107/S2056989024007515. eCollection 2024 Sep 1.
3
Synthesis and crystal structures of two solvates of 1-{[2,6-bis-(hy-droxy-meth-yl)-4-methyl-phen-oxy]meth-yl}-3,5-bis-{[(4,6-di-methyl-pyridin-2-yl)amino]meth-yl}-2,4,6-tri-ethyl-benzene.1-{[2,6-双-(羟甲基)-4-甲基苯氧基]甲基}-3,5-双-{[(4,6-二甲基吡啶-2-基)氨基]甲基}-2,4,6-三乙基苯的两种溶剂化物的合成与晶体结构
Acta Crystallogr E Crystallogr Commun. 2023 Oct 24;79(Pt 11):1067-1071. doi: 10.1107/S2056989023009155. eCollection 2023 Nov 1.
4
Synthesis and crystal structure of 1,3-bis-{[,-bis-(2-hy-droxy-eth-yl)amino]-meth-yl}-5-{[(4,6-di-methyl-pyridin-2-yl)amino]-meth-yl}-2,4,6-tri-ethyl-benzene.1,3-双-{[,-双-(2-羟乙基)氨基]-甲基}-5-{[(4,6-二甲基吡啶-2-基)氨基]-甲基}-2,4,6-三乙基苯的合成与晶体结构
Acta Crystallogr E Crystallogr Commun. 2022 Jul 26;78(Pt 8):825-828. doi: 10.1107/S2056989022007411. eCollection 2022 Aug 1.
5
Crystal structures of 2-[3,5-bis-(bromo-meth-yl)-2,4,6-tri-ethyl-benz-yl]isoindoline-1,3-dione and 2-{5-(bromo-meth-yl)-3-[(1,3-dioxoisoindolin-2-yl)meth-yl]-2,4,6-tri-ethyl-benz-yl}isoindoline-1,3-dione.2-[3,5-双-(溴甲基)-2,4,6-三乙基苄基]异吲哚啉-1,3-二酮和2-{5-(溴甲基)-3-[(1,3-二氧代异吲哚啉-2-基)甲基]-2,4,6-三乙基苄基}异吲哚啉-1,3-二酮的晶体结构
Acta Crystallogr E Crystallogr Commun. 2021 Aug 10;77(Pt 9):919-923. doi: 10.1107/S205698902100788X. eCollection 2021 Sep 1.
6
2-{2,4,6-Tris(bromo-meth-yl)-3,5-bis-[(1,3-dioxoisoindolin-2-yl)meth-yl]benz-yl}iso-indoline-1,3-dione toluene monosolvate.2-{2,4,6-三（溴甲基）-3,5-双[（1,3-二氧代异吲哚啉-2-基）甲基]苄基}异吲哚啉-1,3-二酮甲苯单溶剂合物
Acta Crystallogr Sect E Struct Rep Online. 2014 Mar 5;70(Pt 4):o393-4. doi: 10.1107/S1600536814004383. eCollection 2014 Apr 1.
7
Crystal structure of 1,3-bis-(1H-benzotriazol-1-yl-meth-yl)benzene.1,3-双-(1H-苯并三唑-1-基-甲基)苯的晶体结构
Acta Crystallogr E Crystallogr Commun. 2016 May 17;72(Pt 6):815-8. doi: 10.1107/S2056989016007805. eCollection 2016 Jun 1.
8
4-[(1)-({[(Benzyl-sulfan-yl)methane-thio-yl]amino}-imino)-meth-yl]benzene-1,3-diol chloro-form hemisolvate: crystal structure, Hirshfeld surface analysis and computational study.4-[(1)-({[(苄基硫烷基)甲硫基]氨基}-亚氨基)-甲基]苯-1,3-二醇氯仿半溶剂化物：晶体结构、 Hirshfeld表面分析及计算研究
Acta Crystallogr E Crystallogr Commun. 2020 Jun 2;76(Pt 7):990-997. doi: 10.1107/S2056989020007070. eCollection 2020 Jul 1.
9
Crystal structures and anti-oxidant capacity of ()-5-benz-yloxy-2-{[(4-chloro-phen-yl)imino]-meth-yl}phenol and ()-5-benz-yloxy-2-({[2-(1-indol-3-yl)eth-yl]iminium-yl}meth-yl)phenolate.（）-5-苄氧基-2-{[（4-氯苯基）亚氨基]-甲基}苯酚和（）-5-苄氧基-2-（{[2-（1-吲哚-3-基）乙基]亚胺基}甲基）苯酚盐的晶体结构与抗氧化能力
Acta Crystallogr E Crystallogr Commun. 2018 Mar 9;74(Pt 4):478-482. doi: 10.1107/S2056989018003687. eCollection 2018 Apr 1.
10
Crystal structure and Hirshfeld surface analysis of -{2-[()-(4-methyl-benzyl-idene)amino]-phen-yl}-2-(5-methyl-1--pyrazol-3-yl)acetamide hemihydrate.-{2-[（）-（4-甲基-亚苄基）氨基]-苯基}-2-（5-甲基-1H-吡唑-3-基）乙酰胺半水合物的晶体结构和 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2019 Jan 8;75(Pt 2):154-158. doi: 10.1107/S2056989018017747. eCollection 2019 Feb 1.

本文引用的文献

1
Crystal structure of the complex of 2,4,6-tri-ethyl-1,3,5-tris-[(4-methyl-1-indazol-1-yl)meth-yl]-benzene with NHPF.2,4,6-三乙基-1,3,5-三[（4-甲基-1-吲唑-1-基）甲基]苯与NHPF复合物的晶体结构
Acta Crystallogr E Crystallogr Commun. 2022 Jul 12;78(Pt 8):785-788. doi: 10.1107/S2056989022006867. eCollection 2022 Aug 1.
2
Binding and Assembly of a Benzotriazole Cavitand in Water.苯并三唑穴醚在水中的键合与组装。
Angew Chem Int Ed Engl. 2022 Jul 18;61(29):e202205534. doi: 10.1002/anie.202205534. Epub 2022 May 26.
3
Binding modes of methyl α-d-glucopyranoside to an artificial receptor in crystalline complexes.
甲基 α-D-吡喃葡萄糖苷在晶体复合物中与人工受体的结合模式。
RSC Adv. 2021 Jun 24;11(36):22221-22229. doi: 10.1039/d1ra03390e. eCollection 2021 Jun 21.
4
Copper(ii)-benzotriazole coordination compounds in click chemistry: a diagnostic reactivity study.点击化学中的铜（II）-苯并三唑配位化合物：诊断反应性研究。
Dalton Trans. 2018 Aug 21;47(31):10491-10508. doi: 10.1039/c8dt01256c. Epub 2018 May 24.
5
Crystal structure of 1,3-bis-(1H-benzotriazol-1-yl-meth-yl)benzene.1,3-双-(1H-苯并三唑-1-基-甲基)苯的晶体结构
Acta Crystallogr E Crystallogr Commun. 2016 May 17;72(Pt 6):815-8. doi: 10.1107/S2056989016007805. eCollection 2016 Jun 1.
6
The Cambridge Structural Database.剑桥结构数据库。
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016 Apr;72(Pt 2):171-9. doi: 10.1107/S2052520616003954. Epub 2016 Apr 1.
7
Improved binding affinity and interesting selectivities of aminopyrimidine-bearing carbohydrate receptors in comparison with their aminopyridine analogues.与含氨基吡啶的类似物相比，含氨基嘧啶的碳水化合物受体的结合亲和力有所提高，且具有有趣的选择性。
Org Biomol Chem. 2015 Dec 28;13(48):11622-32. doi: 10.1039/c5ob01757b. Epub 2015 Oct 15.
8
Unique hydrogen-bonded complex of hydronium and hydroxide ions.水合氢离子与氢氧根离子独特的氢键复合物。
Chemistry. 2015 Apr 20;21(17):6350-4. doi: 10.1002/chem.201406383. Epub 2015 Mar 10.
9
Benzotriazole: An overview on its versatile biological behavior.苯并三唑：关于其多样生物学行为的概述
Eur J Med Chem. 2015 Jun 5;97:612-48. doi: 10.1016/j.ejmech.2014.09.089. Epub 2014 Sep 30.
10
Use of intensity quotients and differences in absolute structure refinement.强度商数的使用及绝对结构精修中的差异
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2013 Jun;69(Pt 3):249-59. doi: 10.1107/S2052519213010014. Epub 2013 May 17.