• 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）-1-[3,5-双（苄氧基）苯基]-3-（4-乙氧基苯基）丙-2-烯-1-酮的合成与晶体结构

Synthesis and crystal structure of (2)-1-[3,5-bis-(benz-yloxy)phen-yl]-3-(4-eth-oxy-phen-yl)prop-2-en-1-one.

作者信息

Jeyashri K R, Logeshwari G, Rajapandiyan U, Sivakumar K, Selvanayagam S, Manikandan H, Kaviyarasu K

机构信息

Department of Chemistry Annamalai University, Annamalainagar Chidambaram 608 002 India.

Department of Chemistry Sri Chandrasekharendra Saraswathi Viswa Mahavidyalaya, (Deeded to be University) Kanchipuram 631 561 India.

出版信息

Acta Crystallogr E Crystallogr Commun. 2024 Aug 6;80(Pt 9):913-915. doi: 10.1107/S2056989024007552. eCollection 2024 Sep 1.

DOI:10.1107/S2056989024007552
PMID:39267866
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11389684/
Abstract

In the title compound, CHO, the phenyl rings of the chalcone unit subtend a dihedral angle of 26.43 (10)°. The phenyl rings of the pendant benz-yloxy groups are orientated at 75.57 (13) and 75.70 (10)° with respect to their attached ring. In the crystal, weak C-H⋯O and C-H⋯π inter-actions link the mol-ecules. The inter-molecular inter-actions were qu-anti-fied and analysed using Hirshfeld surface analysis, which showed a breakdown into H⋯H (49.8%), H⋯C/C⋯H (33.8%) and H⋯O/O⋯H (13.6%) inter-actions with other types making negligible contributions.

摘要

在标题化合物CHO中，查尔酮单元的苯环形成的二面角为26.43 (10)°。侧链苄氧基的苯环相对于其连接的环的取向角度分别为75.57 (13)°和75.70 (10)°。在晶体中，弱的C-H⋯O和C-H⋯π相互作用将分子连接起来。使用 Hirshfeld 表面分析对分子间相互作用进行了量化和分析，结果表明其分解为H⋯H（49.8%）、H⋯C/C⋯H（33.8%）和H⋯O/O⋯H（13.6%）相互作用，其他类型的贡献可忽略不计。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a0f1/11389684/7104cee65cde/e-80-00913-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a0f1/11389684/5962d07e6438/e-80-00913-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a0f1/11389684/6c0739820764/e-80-00913-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a0f1/11389684/b18b0606d601/e-80-00913-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a0f1/11389684/c83dfc1fd33b/e-80-00913-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a0f1/11389684/7104cee65cde/e-80-00913-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a0f1/11389684/5962d07e6438/e-80-00913-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a0f1/11389684/6c0739820764/e-80-00913-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a0f1/11389684/b18b0606d601/e-80-00913-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a0f1/11389684/c83dfc1fd33b/e-80-00913-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a0f1/11389684/7104cee65cde/e-80-00913-fig5.jpg

相似文献

1
Synthesis and crystal structure of (2)-1-[3,5-bis-(benz-yloxy)phen-yl]-3-(4-eth-oxy-phen-yl)prop-2-en-1-one.（2）-1-[3,5-双（苄氧基）苯基]-3-（4-乙氧基苯基）丙-2-烯-1-酮的合成与晶体结构
Acta Crystallogr E Crystallogr Commun. 2024 Aug 6;80(Pt 9):913-915. doi: 10.1107/S2056989024007552. eCollection 2024 Sep 1.
2
Crystal structure and Hirshfeld surface analysis of (2)-1-(3-bromo-phen-yl)-3-(4-fluoro-phen-yl)prop-2-en-1-one.(2)-1-(3-溴苯基)-3-(4-氟苯基)丙-2-烯-1-酮的晶体结构与 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2019 Jan 4;75(Pt 2):146-149. doi: 10.1107/S2056989018018418. eCollection 2019 Feb 1.
3
Synthesis and structure of ()--(4-meth-oxy-phen-yl)-2-[4-(3-oxo-3-phenyl-prop-1-en-1-yl)phen-oxy]acetamide.（）-（4-甲氧基苯基）-2-[4-（3-氧代-3-苯基丙-1-烯-1-基）苯氧基]乙酰胺的合成与结构
Acta Crystallogr E Crystallogr Commun. 2021 Jan 29;77(Pt 2):184-189. doi: 10.1107/S2056989021000864. eCollection 2021 Feb 1.
4
Synthesis, crystal structure and Hirshfeld surface analysis of naphthalene-2,3-diyl bis-(3-benz-yl-oxy)benzoate.萘-2,3-二基双-(3-苄氧基)苯甲酸酯的合成、晶体结构及 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2023 Jul 4;79(Pt 8):686-689. doi: 10.1107/S2056989023005571. eCollection 2023 Jul 1.
5
Crystal structure and Hirshfeld surface analysis of 4-(3-meth-oxy-phen-yl)-2,6-di-phenyl-pyridine.4-(3-甲氧基苯基)-2,6-二苯基吡啶的晶体结构与 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2022 Aug 23;78(Pt 9):932-935. doi: 10.1107/S2056989022007812. eCollection 2022 Sep 1.
6
Crystal structure and Hirshfeld surface analysis of 4-(4-chloro-phen-yl)-5-methyl-3-{4-[(2-methyl-phen-yl)meth-oxy]phen-yl}-1,2-oxazole.4-(4-氯苯基)-5-甲基-3-{4-[(2-甲基苯基)甲氧基]苯基}-1,2-恶唑的晶体结构与 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2021 Mar 5;77(Pt 4):346-350. doi: 10.1107/S2056989021002383. eCollection 2021 Apr 1.
7
Crystal structure and Hirshfeld surface analysis of (2)-3-(4-chloro-3-fluoro-phen-yl)-1-(3,4-di-meth-oxy-phen-yl)prop-2-en-1-one.（2）-3-（4-氯-3-氟苯基）-1-（3,4-二甲氧基苯基）丙-2-烯-1-酮的晶体结构与 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2019 Jun 4;75(Pt 7):942-945. doi: 10.1107/S2056989019007783. eCollection 2019 Jul 1.
8
Crystal structure and Hirshfeld surface analysis of 2-(4-chloro-phen-yl)-4-(di-meth-oxy-meth-yl)-5-phenyl-1,3-thia-zole.2-(4-氯苯基)-4-(二甲氧基甲基)-5-苯基-1,3-噻唑的晶体结构与 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2022 May 27;78(Pt 6):675-678. doi: 10.1107/S2056989022005564. eCollection 2022 Jun 1.
9
Crystal structures and Hirshfeld surface analyses of the two isotypic compounds ()-1-(4-bromo-phen-yl)-2-[2,2-di-chloro-1-(4-nitro-phen-yl)ethen-yl]diazene and ()-1-(4-chloro-phen-yl)-2-[2,2-di-chloro-1-(4-nitro-phen-yl)ethen-yl]diazene.两种同型化合物（）-1-（4-溴苯基）-2-[2,2-二氯-1-（4-硝基苯基）乙烯基]二氮烯和（）-1-（4-氯苯基）-2-[2,2-二氯-1-（4-硝基苯基）乙烯基]二氮烯的晶体结构和 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2019 Jul 19;75(Pt 8):1199-1204. doi: 10.1107/S2056989019010004. eCollection 2019 Aug 1.
10
Crystal structure and Hirshfeld surface analysis of ()-3-(3-iodo-phen-yl)-1-(4-iodo-phen-yl)prop-2-en-1-one.（）-3-（3-碘苯基）-1-（4-碘苯基）-2-丙烯-1-酮的晶体结构与 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2020 Jan 1;76(Pt 1):72-76. doi: 10.1107/S2056989019016402.

本文引用的文献

1
A review on synthetic chalcone derivatives as tubulin polymerisation inhibitors.综述：合成查耳酮衍生物作为微管蛋白聚合抑制剂。
J Enzyme Inhib Med Chem. 2022 Dec;37(1):9-38. doi: 10.1080/14756366.2021.1976772.
2
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.
3
: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals.
用于分子晶体的 Hirshfeld 表面分析、可视化和定量分析的程序。
J Appl Crystallogr. 2021 Apr 27;54(Pt 3):1006-1011. doi: 10.1107/S1600576721002910. eCollection 2021 Jun 1.
4
validation ALERTS: what they mean and how to respond.验证警报：其含义及应对方法
Acta Crystallogr E Crystallogr Commun. 2020 Jan 1;76(Pt 1):1-11. doi: 10.1107/S2056989019016244.
5
Chalcone: A Privileged Structure in Medicinal Chemistry.查尔酮：药物化学中的一种优势结构。
Chem Rev. 2017 Jun 28;117(12):7762-7810. doi: 10.1021/acs.chemrev.7b00020. Epub 2017 May 10.
6
Chalcones with electron-withdrawing and electron-donating substituents: anticancer activity against TRAIL resistant cancer cells, structure-activity relationship analysis and regulation of apoptotic proteins.带有吸电子和供电子取代基的查耳酮：对TRAIL抗性癌细胞的抗癌活性、构效关系分析及凋亡蛋白的调控
Eur J Med Chem. 2014 Apr 22;77:378-87. doi: 10.1016/j.ejmech.2014.03.002. Epub 2014 Mar 3.