• 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-{[（2,4-二甲基苯基）亚氨基]甲基}-4-甲基苯酚的晶体结构与 Hirshfeld 表面分析

Crystal structure and Hirshfeld surface analysis of ()-2-{[(2,4-di-methyl-phen-yl)imino]-meth-yl}-4-methyl-phenol.

作者信息

Kansiz Sevgi, Gul Adem, Dege Necmi, Agar Erbil, Saif Eiad

机构信息

Samsun University, Faculty of Engineering, Department of Fundamental Sciences, 55420, Samsun, Turkey.

Akay Pharma Medicine and Health Products Industries & Trade, 34000, Istanbul, Turkey.

出版信息

Acta Crystallogr E Crystallogr Commun. 2021 Oct 13;77(Pt 11):1087-1090. doi: 10.1107/S2056989021010215. eCollection 2021 Nov 1.

DOI:10.1107/S2056989021010215
PMID:34868641
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8587990/
Abstract

The title compound, CHNO, is a Schiff base that exists in the enol-imine tautomeric form and adopts a configuration. The mol-ecule is non-planar, with the twisted rings making a dihedral angle of 39.92 (4)°. The intra-molecular O-H⋯N hydrogen bond forms an (6) ring motif. In the crystal, mol-ecules are linked by C-H⋯π inter-actions and very weak π-π stacking inter-actions also help to consolidate the crystal packing. A Hirshfeld surface analysis was performed to investigate the contributions of different inter-molecular contacts within the supra-molecular structure. The major contributions are from H⋯H (65%), C⋯H (19.2%) and O⋯H (6.6%) inter-actions.

摘要

标题化合物CHNO是一种席夫碱，以烯醇-亚胺互变异构形式存在并采用一种构型。分子是非平面的，扭曲的环形成39.92 (4)°的二面角。分子内的O-H⋯N氢键形成一个(6)环基序。在晶体中，分子通过C-H⋯π相互作用相连，非常弱的π-π堆积相互作用也有助于巩固晶体堆积。进行了 Hirshfeld 表面分析以研究超分子结构内不同分子间接触的贡献。主要贡献来自H⋯H（65%）、C⋯H（19.2%）和O⋯H（6.6%）相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e8dd/8587990/f1371ba42fbc/e-77-01087-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e8dd/8587990/b281723d403f/e-77-01087-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e8dd/8587990/7f0829bff921/e-77-01087-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e8dd/8587990/0f3d3b3dd7a9/e-77-01087-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e8dd/8587990/b9fd5f34a2b4/e-77-01087-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e8dd/8587990/f1371ba42fbc/e-77-01087-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e8dd/8587990/b281723d403f/e-77-01087-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e8dd/8587990/7f0829bff921/e-77-01087-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e8dd/8587990/0f3d3b3dd7a9/e-77-01087-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e8dd/8587990/b9fd5f34a2b4/e-77-01087-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e8dd/8587990/f1371ba42fbc/e-77-01087-fig5.jpg

相似文献

1
Crystal structure and Hirshfeld surface analysis of ()-2-{[(2,4-di-methyl-phen-yl)imino]-meth-yl}-4-methyl-phenol.（）-2-{[（2,4-二甲基苯基）亚氨基]甲基}-4-甲基苯酚的晶体结构与 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2021 Oct 13;77(Pt 11):1087-1090. doi: 10.1107/S2056989021010215. eCollection 2021 Nov 1.
2
Crystal structure and Hirshfeld surface analysis of 2-{[()-(3-cyclo-butyl-1-1,2,4-triazol-5-yl)imino]-meth-yl}phenol.2-{[()-(3-环丁基-1,2,4-三唑-5-基)亚氨基]-甲基}苯酚的晶体结构和 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2021 Nov 9;77(Pt 12):1267-1271. doi: 10.1107/S2056989021011658. eCollection 2021 Dec 1.
3
2-[(1)-[()-2-({[(1)-[()-2-[(2-Hy-droxy-phen-yl)methyl-idene]hydrazin-1-yl-idene]({[(4-methyl-phen-yl)meth-yl]sulfan-yl})meth-yl]disulfan-yl}({[(4-methyl-phen-yl)meth-yl]sulfan-yl})methyl-idene)hydrazin-1-yl-idene]meth-yl]phenol: crystal structure, Hirshfeld surface analysis and computational study.2-[(1)-[()-2-({[(1)-[()-2-[(2-羟基苯基)亚甲基]肼-1-亚基]({[(4-甲基苯基)甲基]硫烷基})甲基]二硫烷基}({[(4-甲基苯基)甲基]硫烷基})甲基亚甲基)肼-1-亚基]甲基]苯酚：晶体结构、 Hirshfeld表面分析及计算研究
Acta Crystallogr E Crystallogr Commun. 2020 Jul 10;76(Pt 8):1245-1250. doi: 10.1107/S2056989020008762. eCollection 2020 Aug 1.
4
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.
5
Crystal structure and Hirshfeld surface analysis of ()-2-{[(2-iodo-phen-yl)imino]-meth-yl}-6-methyl-phenol.()-2-{[(2-碘苯基)亚氨基]甲基}-6-甲基苯酚的晶体结构与 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2020 Sep 4;76(Pt 10):1595-1598. doi: 10.1107/S2056989020011974. eCollection 2020 Oct 1.
6
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.
7
Crystal structure and Hirshfeld surface analysis of ()-4-({2,2-di-chloro-1-[4-(di-methyl-amino)-phen-yl]ethenyl}diazen-yl)benzo-nitrile.（）-4-（{2,2-二氯-1-[4-（二甲基氨基）苯基]乙烯基}重氮基）苯甲腈的晶体结构和 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2021 Sep 7;77(Pt 10):994-998. doi: 10.1107/S2056989021009154. eCollection 2021 Oct 1.
8
Crystal structure, Hirshfeld surface analysis and DFT studies of 4-methyl-2-({[4-(tri-fluoro-meth-yl)phen-yl]imino}-meth-yl)phenol.4-甲基-2-({[4-(三氟甲基)苯基]亚氨基}-甲基)苯酚的晶体结构、 Hirshfeld表面分析和密度泛函理论研究
Acta Crystallogr E Crystallogr Commun. 2020 Jul 21;76(Pt 8):1325-1330. doi: 10.1107/S2056989020009615. eCollection 2020 Aug 1.
9
Crystal structure and Hirshfeld surface analysis of ()-6-[(2-hy-droxy-4-methyl-anilino)-methyl-idene]-4-methyl-cyclo-hexa-2,4-dien-1-one.（）-6-[(2-羟基-4-甲基苯胺基)-亚甲基]-4-甲基环己-2,4-二烯-1-酮的晶体结构与 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2019 May 14;75(Pt 6):785-788. doi: 10.1107/S2056989019006583. eCollection 2019 Jun 1.
10
Crystal structure and Hirshfeld surface analysis of ()-1-[2,2-di-bromo-1-(4-nitro-phen-yl)ethen-yl]-2-(4-fluoro-phen-yl)diazene.（）-1-[2,2-二溴-1-（4-硝基苯基）乙烯基]-2-（4-氟苯基）重氮苯的晶体结构与 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2022 Apr 28;78(Pt 5):530-535. doi: 10.1107/S2056989022004388. eCollection 2022 May 1.

本文引用的文献

1
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.
2
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.