• 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-(4-氟苯基)哌嗪-1-基]-2-氧代乙基}-6-(吗啉-4-基)-4-苯基哒嗪-3(2H)-酮

2-{2-[4-(4-Fluoro-phen-yl)piperazin-1-yl]-2-oxoeth-yl}-6-(morpholin-4-yl)-4-phenyl-pyridazin-3(2H)-one.

作者信息

Aydın Abdullah, Süküroğlu Murat, Akkurt Mehmet, Büyükgüngör Orhan

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Feb 19;67(Pt 3):o666-7. doi: 10.1107/S1600536811005071.

DOI:10.1107/S1600536811005071
PMID:21522416
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3052151/
Abstract

In the title compound, C(26)H(28)FN(5)O(3), the morpholine ring adopts a chair conformation. The piperazine ring is puckered [Q(T) = 0.5437 (15) Å, θ = 8.89 (15) and ϕ = 357.2 (11)°]. The 1,6-dihydro-pyridazine ring makes dihedral angles of 28.03 (7) and 77.46 (7)° with the phenyl and benzene rings, respectively. In the crystal, mol-ecules are linked along the c axis by C-H⋯O inter-actions and are flattened parallel to the ac plane. C-H⋯π inter-actions also contribute to the stability of the structure.

摘要

在标题化合物C(26)H(28)FN(5)O(3)中，吗啉环呈椅式构象。哌嗪环呈扭曲状[Q(T)=0.5437 (15) Å，θ=8.89 (15)，ϕ=357.2 (11)°]。1,6-二氢哒嗪环与苯环和苯基分别形成28.03 (7)°和77.46 (7)°的二面角。在晶体中，分子沿c轴通过C-H⋯O相互作用相连，并在与ac平面平行的方向上呈扁平状。C-H⋯π相互作用也有助于结构的稳定性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d699/3052151/abed685ead56/e-67-0o666-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d699/3052151/7c581202da8f/e-67-0o666-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d699/3052151/591401ab5091/e-67-0o666-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d699/3052151/abed685ead56/e-67-0o666-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d699/3052151/7c581202da8f/e-67-0o666-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d699/3052151/591401ab5091/e-67-0o666-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d699/3052151/abed685ead56/e-67-0o666-fig3.jpg

相似文献

1
2-{2-[4-(4-Fluoro-phen-yl)piperazin-1-yl]-2-oxoeth-yl}-6-(morpholin-4-yl)-4-phenyl-pyridazin-3(2H)-one.2-{2-[4-(4-氟苯基)哌嗪-1-基]-2-氧代乙基}-6-(吗啉-4-基)-4-苯基哒嗪-3(2H)-酮
Acta Crystallogr Sect E Struct Rep Online. 2011 Feb 19;67(Pt 3):o666-7. doi: 10.1107/S1600536811005071.
2
1-[4-(4-Chloro-phen-yl)piperazin-1-yl]-3-(6-oxo-3,4-diphenyl-1,6-dihydro-pyridazin-1-yl)propan-1-one.1-[4-(4-氯苯基)哌嗪-1-基]-3-(6-氧代-3,4-二苯基-1,6-二氢哒嗪-1-基)丙-1-酮
Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2720. doi: 10.1107/S160053681203543X. Epub 2012 Aug 15.
3
Crystal structure and Hirshfeld surface analysis of 6-(()-2-{4-[2-(4-chloro-phen-yl)-2-oxoeth-oxy]phen-yl}ethen-yl)-4,5-di-hydro-pyridazin-3(2)-one.6-（（）-2-{4-[2-（4-氯苯基）-2-氧代乙氧基]苯基}乙烯基）-4,5-二氢哒嗪-3（2）-酮的晶体结构和 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2022 Jan 1;78(Pt 1):8-11. doi: 10.1107/S205698902101238X.
4
Crystal structure and the DFT and MEP study of 4-benzyl-2-[2-(4-fluoro-phen-yl)-2-oxoeth-yl]-6-phenyl-pyridazin-3(2)-one.4-苄基-2-[2-(4-氟苯基)-2-氧代乙基]-6-苯基哒嗪-3(2)-酮的晶体结构、密度泛函理论及分子静电势研究
Acta Crystallogr E Crystallogr Commun. 2019 Jun 21;75(Pt 7):1030-1034. doi: 10.1107/S2056989019008557. eCollection 2019 Jul 1.
5
Dimethyl 4-[3-(4-meth-oxy-phen-yl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate dihydrate.4-[3-(4-甲氧基苯基)-1-苯基-1H-吡唑-4-基]-2,6-二甲基-1,4-二氢吡啶-3,5-二羧酸二甲酯二水合物
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2210-1. doi: 10.1107/S1600536812027936. Epub 2012 Jun 27.
6
Crystal structure of 4-(4-chloro-phen-yl)-6-(morpholin-4-yl)pyridazin-3(2H)-one.4-（4-氯苯基）-6-（吗啉-4-基）哒嗪-3（2H）-酮的晶体结构
Acta Crystallogr E Crystallogr Commun. 2015 Jul 17;71(Pt 8):944-6. doi: 10.1107/S2056989015012980. eCollection 2015 Aug 1.
7
Crystal structure and theoretical study of (2)-1-[4-hy-droxy-3-(morpholin-4-ylmeth-yl)phen-yl]-3-(thio-phen-2-yl)prop-2-en-1-one.（2）-1-[4-羟基-3-（吗啉-4-基甲基）苯基]-3-（噻吩-2-基）丙-2-烯-1-酮的晶体结构与理论研究
Acta Crystallogr E Crystallogr Commun. 2018 Jun 12;74(Pt 7):960-963. doi: 10.1107/S2056989018008459. eCollection 2018 Jul 1.
8
Crystal structure of 3-({[(morpholin-4-yl)carbono-thio-yl]sulfan-yl}acet-yl)phenyl benzoate.3-({[(吗啉-4-基)羰基硫基]硫烷基}乙酰基)苯甲酸苯酯的晶体结构
Acta Crystallogr Sect E Struct Rep Online. 2014 Oct 24;70(Pt 11):400-2. doi: 10.1107/S1600536814023265. eCollection 2014 Nov 1.
9
4-{[5-(4-Chloro-phen-yl)-1-(4-fluoro-phen-yl)-1H-pyrazol-3-yl]carbon-yl}-N-(4-cyano-phen-yl)piperazine-1-carboxamide.4-{[5-(4-氯苯基)-1-(4-氟苯基)-1H-吡唑-3-基]羰基}-N-(4-氰基苯基)哌嗪-1-甲酰胺
Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 15;66(Pt 10):o2563-4. doi: 10.1107/S1600536810036159.
10
2-[(E)-(4-Methyl-phen-yl)imino-meth-yl]-6-(morpholin-4-ylmeth-yl)phenol.2-[(E)-(4-甲基-苯基)亚氨基甲基]-6-(吗啉-4-基甲基)苯酚
Acta Crystallogr Sect E Struct Rep Online. 2010 Dec 18;67(Pt 1):o147-8. doi: 10.1107/S1600536810052311.

引用本文的文献

1
Crystal structure of 4-(4-chloro-phen-yl)-6-(morpholin-4-yl)pyridazin-3(2H)-one.4-（4-氯苯基）-6-（吗啉-4-基）哒嗪-3（2H）-酮的晶体结构
Acta Crystallogr E Crystallogr Commun. 2015 Jul 17;71(Pt 8):944-6. doi: 10.1107/S2056989015012980. eCollection 2015 Aug 1.

本文引用的文献

1
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
2
Synthesis and analgesic activity of some 4,6-disubstituted-3(2H)-pyridazinone derivatives.某些4,6-二取代-3(2H)-哒嗪酮衍生物的合成与镇痛活性
Arzneimittelforschung. 2006;56(5):337-45. doi: 10.1055/s-0031-1296731.
3
Pyrazolone derivatives.吡唑啉酮衍生物
Drugs. 1986;32 Suppl 4:60-70. doi: 10.2165/00003495-198600324-00006.