• 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-{[(蒽-9-基)甲基]氨基}-苯甲酸的晶体结构与 Hirshfeld 表面分析

Crystal structure and Hirshfeld surface analysis of 4-{[(anthracen-9-yl)meth-yl]amino}-benzoic acid.

作者信息

Ahmed Adeeba, Faizi Md Serajul Haque, Ahmad Aiman, Ahmad Musheer, Fritsky Igor O

机构信息

Department of Applied Chemistry, ZHCET, Aligarh Muslim University, Aligarh 202002 (UP), India.

Department of Chemistry, Langat Singh College, B. R. A. Bihar University, Muzaffarpur, Bihar 842001, India.

出版信息

Acta Crystallogr E Crystallogr Commun. 2020 Jan 1;76(Pt 1):62-65. doi: 10.1107/S2056989019016207.

DOI:10.1107/S2056989019016207
PMID:31921453
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC6944086/
Abstract

In the mol-ecule of the title anthracene derivative, CHNO, the benzene ring is inclined to the mean plane of the anthracene ring system (r.m.s. deviation = 0.024 Å) by 75.21 (9)°. In the crystal, mol-ecules are linked by pairs of O-H⋯O hydrogen bonds, forming classical carb-oxy-lic acid inversion dimers with an (8) ring motif. The dimers are linked by C-H⋯π inter-actions, forming a supra-molecular framework.

摘要

在标题蒽衍生物CHNO的分子中，苯环相对于蒽环体系的平均平面（均方根偏差 = 0.024 Å）倾斜75.21 (9)°。在晶体中，分子通过O—H⋯O氢键对相连，形成具有(8)环模式的经典羧酸反演二聚体。二聚体通过C—H⋯π相互作用相连，形成一个超分子框架。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cfa1/6944086/86a7edc61455/e-76-00062-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cfa1/6944086/2db50a4acdaa/e-76-00062-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cfa1/6944086/a8dc832ef247/e-76-00062-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cfa1/6944086/a86cb303d111/e-76-00062-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cfa1/6944086/639535df57fb/e-76-00062-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cfa1/6944086/86a7edc61455/e-76-00062-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cfa1/6944086/2db50a4acdaa/e-76-00062-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cfa1/6944086/a8dc832ef247/e-76-00062-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cfa1/6944086/a86cb303d111/e-76-00062-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cfa1/6944086/639535df57fb/e-76-00062-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cfa1/6944086/86a7edc61455/e-76-00062-fig5.jpg

相似文献

1
Crystal structure and Hirshfeld surface analysis of 4-{[(anthracen-9-yl)meth-yl]amino}-benzoic acid.4-{[(蒽-9-基)甲基]氨基}-苯甲酸的晶体结构与 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2020 Jan 1;76(Pt 1):62-65. doi: 10.1107/S2056989019016207.
2
Crystal structure and Hirshfeld surface analysis of 4-{[(anthracen-9-yl)meth-yl]amino}-benzoic acid di-methyl-formamide monosolvate.4-{[(蒽-9-基)甲基]氨基}-苯甲酸二甲基甲酰胺单溶剂合物的晶体结构与 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2020 Apr 24;76(Pt 5):728-731. doi: 10.1107/S2056989020005393. eCollection 2020 May 1.
3
Crystal structure and Hirshfeld surface analysis of ()-2-[1-hy-droxy-2-(pyridin-2-yl)eth-yl]-4-[2-(4-meth-oxy-phen-yl)diazen-1-yl]phenol.（）-2-[1-羟基-2-（吡啶-2-基）乙基]-4-[2-（4-甲氧基苯基）重氮-1-基]苯酚的晶体结构和 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2019 Apr 9;75(Pt 5):600-603. doi: 10.1107/S2056989019004377. eCollection 2019 May 1.
4
The crystal structure, Hirshfeld surface analysis and energy frameworks of 2-[2-(meth-oxy-carbon-yl)-3,6-bis-(meth-oxy-meth-oxy)phen-yl]acetic acid.2-[2-(甲氧基羰基)-3,6-双(甲氧基甲氧基)苯基]乙酸的晶体结构、 Hirshfeld表面分析和能量框架
Acta Crystallogr E Crystallogr Commun. 2020 Jun 19;76(Pt 7):1101-1106. doi: 10.1107/S2056989020007987. eCollection 2020 Jul 1.
5
2,2'-(Disulfanedi-yl)di-benzoic acid ,-di-methyl-formamide monosolvate: crystal structure, Hirshfeld surface analysis and computational study.2,2'-（二硫烷二基）二苯甲酸 - 二甲基甲酰胺单溶剂合物：晶体结构、 Hirshfeld表面分析及计算研究
Acta Crystallogr E Crystallogr Commun. 2020 Jun 26;76(Pt 7):1150-1157. doi: 10.1107/S2056989020008257. eCollection 2020 Jul 1.
6
A new tetra-kis-substituted pyrazine carb-oxy-lic acid, 3,3',3'',3'''-{[pyrazine-2,3,5,6-tetra-yltetra-kis(methyl-ene)]tetra-kis-(sulfanedi-yl)}tetra-propionic acid: crystal structures of two triclinic polymorphs and of two potassium-organic frameworks.一种新型四取代吡嗪羧酸，3,3',3'',3'''-{[吡嗪-2,3,5,6-四亚基四（亚甲基）]四（硫烷二亚基）}四丙酸：两种三斜多晶型物和两种钾-有机骨架的晶体结构
Acta Crystallogr E Crystallogr Commun. 2021 Apr 9;77(Pt 5):480-490. doi: 10.1107/S2056989021003479. eCollection 2021 May 1.
7
Comparison of the crystal structures of methyl 4-bromo-2-(meth-oxy-meth-oxy)benzoate and 4-bromo-3-(meth-oxy-meth-oxy)benzoic acid.4-溴-2-(甲氧基甲氧基)苯甲酸甲酯与4-溴-3-(甲氧基甲氧基)苯甲酸的晶体结构比较。
Acta Crystallogr E Crystallogr Commun. 2016 Mar 11;72(Pt 4):477-81. doi: 10.1107/S2056989016003777. eCollection 2016 Apr 1.
8
Crystal structures of 4-meth-oxy-benzoic acid-1,3-bis-(pyridin-4-yl)propane (2/1) and biphenyl-4,4'-di-carb-oxy-lic acid-4-meth-oxy-pyridine (1/2).4-甲氧基苯甲酸-1,3-双（吡啶-4-基）丙烷（2/1）和联苯-4,4'-二羧酸-4-甲氧基吡啶（1/2）的晶体结构
Acta Crystallogr E Crystallogr Commun. 2017 Jul 17;73(Pt 8):1192-1196. doi: 10.1107/S2056989017010167. eCollection 2017 Jul 1.
9
6-(4-Methyl-phen-yl)-1,3,5-triazine-2,4-di-amine-benzoic acid (1/1).6-（4-甲基-苯基）-1,3,5-三嗪-2,4-二胺-苯甲酸（1/1）
Acta Crystallogr Sect E Struct Rep Online. 2013 May 25;69(Pt 6):o968-9. doi: 10.1107/S1600536813013883. Print 2013 Jun 1.
10
Crystal structure of methyl ()-4-[2-(8-hy-droxy-quinolin-2-yl)vin-yl]benzoate.（）-4-[2-（8-羟基喹啉-2-基）乙烯基]苯甲酸甲酯的晶体结构
Acta Crystallogr E Crystallogr Commun. 2016 Aug 5;72(Pt 9):1251-1253. doi: 10.1107/S205698901601210X. eCollection 2016 Sep 1.

引用本文的文献

1
Crystal Structure, Topology, DFT and Hirshfeld Surface Analysis of a Novel Charge Transfer Complex (L3) of Anthraquinone and 4-{[(anthracen-9-yl)meth-yl] amino}-benzoic Acid (L2) Exhibiting Photocatalytic Properties: An Experimental and Theoretical Approach.蒽醌和 4-[[(9H-蒽-9-基)甲基]氨基]苯甲酸（L2）的新型电荷转移配合物（L3）的晶体结构、拓扑、DFT 和 Hirshfeld 表面分析及其光催化性能：实验和理论研究。
Molecules. 2022 Mar 6;27(5):1724. doi: 10.3390/molecules27051724.
2
Crystal structure and Hirshfeld surface analysis of 4-{[(anthracen-9-yl)meth-yl]amino}-benzoic acid di-methyl-formamide monosolvate.4-{[(蒽-9-基)甲基]氨基}-苯甲酸二甲基甲酰胺单溶剂合物的晶体结构与 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2020 Apr 24;76(Pt 5):728-731. doi: 10.1107/S2056989020005393. eCollection 2020 May 1.

本文引用的文献

1
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.
2
Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination.用于单晶结构测定的银和钼微焦点X射线源的比较。
J Appl Crystallogr. 2015 Jan 30;48(Pt 1):3-10. doi: 10.1107/S1600576714022985. eCollection 2015 Feb 1.
3
The anatomy of a comprehensive constrained, restrained refinement program for the modern computing environment - Olex2 dissected.
面向现代计算环境的综合约束、受限精修程序剖析——解析Olex2
Acta Crystallogr A Found Adv. 2015 Jan;71(Pt 1):59-75. doi: 10.1107/S2053273314022207. Epub 2015 Jan 1.
4
Fe(3+)-selective fluorescent probe based on aminoantipyrine in aqueous solution.基于氨基安替比林的水溶液中 Fe(3+)-选择性荧光探针。
Spectrochim Acta A Mol Biomol Spectrosc. 2012 Dec;98:14-7. doi: 10.1016/j.saa.2012.08.025. Epub 2012 Aug 22.
5
Aromatic chromophore-tethered Schiff base ligands and their iron(III)/chromium(III) Salen and Saloph capped complexes.芳香发色团连接的席夫碱配体及其铁(III)/铬(III)Salen 和 Saloph 封端配合物。
J Fluoresc. 2012 Sep;22(5):1357-70. doi: 10.1007/s10895-012-1075-8. Epub 2012 Jun 14.
6
2-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl-idene]indan-1,3-dione.2-[(3,5-二甲基-1-苯基-1H-吡唑-4-基)亚甲基]茚满-1,3-二酮
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3419. doi: 10.1107/S1600536811049488. Epub 2011 Nov 25.
7
Synthesis and anti-bacterial activities of some novel Schiff bases derived from aminophenazone.某些新型氨基酚席夫碱的合成及抑菌活性研究
Molecules. 2010 Oct 8;15(10):6850-8. doi: 10.3390/molecules15106850.
8
Antioxidant and antiproliferative activities of hydroxyl-substituted Schiff bases.羟基取代席夫碱的抗氧化和抗增殖活性。
Bioorg Med Chem Lett. 2010 Apr 15;20(8):2417-20. doi: 10.1016/j.bmcl.2010.03.039. Epub 2010 Mar 11.
9
Structure validation in chemical crystallography.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.
10
Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces.迈向基于 Hirshfeld 表面的分子间相互作用定量分析
Chem Commun (Camb). 2007 Oct 7(37):3814-6. doi: 10.1039/b704980c.