• 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

Crystal structure of 4-[(adamantan-1-yl)amino]-naphthalene-1,2-dione.

作者信息

Lamoureux Guy, Alvarado-Rojas Mónica, Pineda Leslie W

机构信息

Escuela de Química, Universidad de Costa Rica, 2060, San José, Costa Rica.

Centro de investigación en Productos Naturales (CIPRONA), Universidad de Costa Rica, 2060, San José, Costa Rica.

出版信息

Acta Crystallogr E Crystallogr Commun. 2019 Jan 1;75(Pt 1):99-102. doi: 10.1107/S2056989018017917.

DOI:10.1107/S2056989018017917
PMID:30713743
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC6323878/
Abstract

The title compound, CHNO, an example of a stable 1,2-naphtho-quinone, was determined by single-crystal X-ray diffraction analysis at 100 K. This structure illustrates steric buttressing of the adamantanyl group, forcing the N-H group into the coplanar aromatic C-H. The presence of strong delocalization between the planar N atom at the 4-position and the carbonyl group at the 2-position is indicated. In the crystal, C-H⋯O and C-H⋯π inter-actions link the mol-ecules into a three-dimensional network.

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0302/6323878/718069806a73/e-75-00099-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0302/6323878/ae710b587610/e-75-00099-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0302/6323878/718069806a73/e-75-00099-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0302/6323878/ae710b587610/e-75-00099-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0302/6323878/718069806a73/e-75-00099-fig2.jpg

相似文献

1
Crystal structure of 4-[(adamantan-1-yl)amino]-naphthalene-1,2-dione.
Acta Crystallogr E Crystallogr Commun. 2019 Jan 1;75(Pt 1):99-102. doi: 10.1107/S2056989018017917.
2
Two polymorphs of 2-(prop-2-yn-1-yl-oxy)naphthalene-1,4-dione: solvent-dependent crystallization.2-(丙-2-炔-1-基-氧基)萘-1,4-二酮的两种多晶型物：溶剂依赖性结晶
Acta Crystallogr E Crystallogr Commun. 2018 Nov 9;74(Pt 12):1731-1734. doi: 10.1107/S2056989018015438. eCollection 2018 Dec 1.
3
Methyl 2-{[(4-hydroxy-phen-yl)(methoxy-carbon-yl)meth-yl]amino-carbon-yl}ethano-ate hemihydrate.2-{[(4-羟基苯基)(甲氧基羰基)甲基]氨基羰基}乙酸甲酯半水合物
Acta Crystallogr Sect E Struct Rep Online. 2008 Mar 5;64(Pt 4):o663-4. doi: 10.1107/S1600536808005552.
4
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.
5
Hirshfeld analysis and mol-ecular docking with the RDR enzyme of 2-(5-chloro-2-oxoindolin-3-yl-idene)--methyl-hydrazinecarbo-thio-amide.2-(5-氯-2-氧代吲哚啉-3-亚基)-N-甲基肼基硫代甲酰胺与RDR酶的赫什菲尔德分析和分子对接
Acta Crystallogr E Crystallogr Commun. 2017 Apr 13;73(Pt 5):702-707. doi: 10.1107/S2056989017005461. eCollection 2017 May 1.
6
Crystal structure of 2-hy-droxy-3-(prop-2-yn-1-yl)naphthalene-1,4-dione.2-羟基-3-(2-丙炔-1-基)萘-1,4-二酮的晶体结构
Acta Crystallogr E Crystallogr Commun. 2018 Aug 24;74(Pt 9):1319-1321. doi: 10.1107/S2056989018011647. eCollection 2018 Sep 1.
7
Crystal structure and conformational analysis of 2-hy-droxy-3-(2-methyl-prop-1-en-1-yl)naphthalene-1,4-dione.2-羟基-3-(2-甲基-丙-1-烯-1-基)萘-1,4-二酮的晶体结构与构象分析
Acta Crystallogr E Crystallogr Commun. 2016 Jan 16;72(Pt 2):188-90. doi: 10.1107/S2056989015024755. eCollection 2016 Feb 1.
8
Crystal structure of 3,5-dimeth-oxy-2-[5-(naphthalen-1-yl)-4,5-di-hydro-1H-pyrazol-3-yl]phenol.3,5-二甲氧基-2-[5-(萘-1-基)-4,5-二氢-1H-吡唑-3-基]苯酚的晶体结构
Acta Crystallogr E Crystallogr Commun. 2015 Sep 12;71(Pt 10):o708-9. doi: 10.1107/S2056989015016369. eCollection 2015 Oct 1.
9
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.
10
Crystal structures of isomeric 3,5-di-chloro--(2,3-di-methyl-phen-yl)benzene-sulfonamide, 3,5-di-chloro--(2,6-di-methyl-phen-yl)benzene-sulfonamide and 3,5-di-chloro--(3,5-di-methyl-phen-yl)benzene-sulfonamide.同分异构体3,5-二氯-γ-(2,3-二甲基苯基)苯磺酰胺、3,5-二氯-γ-(2,6-二甲基苯基)苯磺酰胺和3,5-二氯-γ-(3,5-二甲基苯基)苯磺酰胺的晶体结构
Acta Crystallogr E Crystallogr Commun. 2017 Apr 11;73(Pt 5):673-677. doi: 10.1107/S2056989017005230. eCollection 2017 May 1.

本文引用的文献

1
Crystal structure of ()-2-(-butyl-amino)-4-(-butyl-imino)-naphthalen-1(4)-one.（）-2-（-丁基氨基）-4-（-丁基亚氨基）-萘-1（4）-酮的晶体结构
Acta Crystallogr E Crystallogr Commun. 2018 Jun 15;74(Pt 7):973-976. doi: 10.1107/S2056989018008514. eCollection 2018 Jul 1.
2
Selective Inhibitors of Human Liver Carboxylesterase Based on a β-Lapachone Scaffold: Novel Reagents for Reaction Profiling.基于β-拉帕醌骨架的人肝脏羧酸酯酶选择性抑制剂：用于反应谱分析的新型试剂。
J Med Chem. 2017 Feb 23;60(4):1568-1579. doi: 10.1021/acs.jmedchem.6b01849. Epub 2017 Feb 7.
3
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.
4
ShelXle: a Qt graphical user interface for SHELXL.ShelXle：用于SHELXL的Qt图形用户界面。
J Appl Crystallogr. 2011 Dec 1;44(Pt 6):1281-1284. doi: 10.1107/S0021889811043202. Epub 2011 Nov 12.
5
Synthesis and optical properties of acidochromic amine-substituted benzo[a]phenazines.酸致变色胺取代苯并[a]吩嗪的合成与光学性质。
J Org Chem. 2011 Aug 5;76(15):6134-45. doi: 10.1021/jo200857p. Epub 2011 Jun 29.
6
Use of the adamantane structure in medicinal chemistry.金刚烷结构在药物化学中的应用。
Curr Med Chem. 2010;17(26):2967-78. doi: 10.2174/092986710792065027.
7
Aminequinone-hydroxylquinoneimine tautomeric equilibrium revisited: molecular modeling study of the tautomeric equilibrium and substituent effects in 4-(4-R-phenylamino)naphthalene-1,2-diones.胺醌-羟基醌亚胺互变异构平衡再探：4-(4-R-苯基氨基)萘-1,2-二酮互变异构平衡和取代基效应的分子模拟研究。
J Mol Model. 2010 May;16(5):825-30. doi: 10.1007/s00894-009-0579-x. Epub 2009 Sep 13.
8
Antiprotozoal quinones. II. Synthesis of 4-amino-1,2-naphthoquinones and related compounds as potential antimalarials.
J Med Chem. 1970 Jan;13(1):97-103. doi: 10.1021/jm00295a025.