• 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

1-(2-氯乙酰基)-2,6-双-(4-氟苯基)-3,3-二甲基哌啶-4-酮的晶体结构

Crystal structure of 1-(2-chloro-acet-yl)-2,6-bis-(4-fluoro-phen-yl)-3,3-di-methyl-piperidin-4-one.

作者信息

Jothivel S, Kotoky Jibon, Kabilan S

机构信息

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

Division of Life Sciences, Central Instrumentation Facility, Institute of Advanced Study in Science & Technology (IASST), Guwahati 781 035, Assam, India.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Sep 30;70(Pt 10):262-4. doi: 10.1107/S1600536814021278. eCollection 2014 Oct 1.

DOI:10.1107/S1600536814021278
PMID:25484669
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4257194/
Abstract

In the title mol-ecule, C21H20ClF2NO2, the piperidine ring adopts a slightly distorted boat conformation. The two benzene rings form a dihedral angle of 87.43 (1)°. A weak intra-molecular C-H⋯π inter-action is observed. In the crystal, weak C-H⋯O hydrogen bonds and weak C-H⋯π inter-actions connect the mol-ecules, forming a three-dimensional network.

摘要

在标题分子C₂₁H₂₀ClF₂NO₂中，哌啶环呈轻微扭曲的船式构象。两个苯环形成的二面角为87.43 (1)°。观察到一个弱的分子内C—H⋯π相互作用。在晶体中，弱的C—H⋯O氢键和弱的C—H⋯π相互作用连接分子，形成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b58c/4257194/421862761ab4/e-70-00262-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b58c/4257194/d1f85018b2a2/e-70-00262-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b58c/4257194/421862761ab4/e-70-00262-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b58c/4257194/d1f85018b2a2/e-70-00262-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b58c/4257194/421862761ab4/e-70-00262-fig2.jpg

相似文献

1
Crystal structure of 1-(2-chloro-acet-yl)-2,6-bis-(4-fluoro-phen-yl)-3,3-di-methyl-piperidin-4-one.1-(2-氯乙酰基)-2,6-双-(4-氟苯基)-3,3-二甲基哌啶-4-酮的晶体结构
Acta Crystallogr Sect E Struct Rep Online. 2014 Sep 30;70(Pt 10):262-4. doi: 10.1107/S1600536814021278. eCollection 2014 Oct 1.
2
r-2,c-6-Bis(4-chloro-phen-yl)-c-3,t-3-dimethyl-piperidin-4-one.R-2，C-6-双（4-氯苯基）-C-3，T-3-二甲基哌啶-4-酮
Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 13;64(Pt 12):o2312. doi: 10.1107/S1600536808036325.
3
Crystal structures of three N-(aryl-sulfon-yl)-4-fluoro-benzamides.三种N-（芳基磺酰基）-4-氟苯甲酰胺的晶体结构
Acta Crystallogr E Crystallogr Commun. 2016 Mar 31;72(Pt 4):575-82. doi: 10.1107/S2056989016005089. eCollection 2016 Apr 1.
4
Crystal structures of three 3-chloro-3-methyl-2,6-di-aryl-piperidin-4-ones.三种3-氯-3-甲基-2,6-二芳基哌啶-4-酮的晶体结构
Acta Crystallogr E Crystallogr Commun. 2017 Jan 6;73(Pt 2):107-111. doi: 10.1107/S2056989016020661. eCollection 2017 Feb 1.
5
1-Formyl-r-2,c-6-bis-(4-methoxy-phen-yl)-t-3-methyl-piperidin-4-one.1-甲酰基-r-2, c-6-双-(4-甲氧基-苯基)-t-3-甲基-哌啶-4-酮
Acta Crystallogr Sect E Struct Rep Online. 2009 Oct 23;65(Pt 11):o2813. doi: 10.1107/S1600536809042457.
6
8-{1-[(4'-Fluoro-[1,1'-biphen-yl]-4-yl)meth-yl]piperidin-4-yl}-3,4-di-hydro-quinolin-2(1H)-one chloro-form 0.25-solvate.8-{1-[(4'-氟-[1,1'-联苯]-4-基)甲基]哌啶-4-基}-3,4-二氢喹啉-2(1H)-酮 氯仿 0.25溶剂合物
Acta Crystallogr Sect E Struct Rep Online. 2014 Jan 4;70(Pt 2):o103-4. doi: 10.1107/S160053681303448X. eCollection 2014 Feb 1.
7
t-3-Ethyl-r-2,c-6-bis-(4-methoxy-phen-yl)-1-nitro-sopiperidin-4-one.t-3-乙基-r-2,c-6-双-(4-甲氧基-苯基)-1-硝基-哌啶-4-酮
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 4;65(Pt 8):o1765. doi: 10.1107/S1600536809024878.
8
Crystal structure of 2-[4(E)-2,6-bis-(4-chloro-phen-yl)-3-ethyl-piperidin-4-yl-idene]acetamide.2-[4(E)-2,6-双-(4-氯苯基)-3-乙基-哌啶-4-亚基]乙酰胺的晶体结构
Acta Crystallogr E Crystallogr Commun. 2015 Oct 10;71(Pt 11):o832-3. doi: 10.1107/S2056989015018666. eCollection 2015 Nov 1.
9
Crystal structure of 5,5'-[(4-fluoro-phen-yl)methyl-ene]bis-[6-amino-1,3-di-methyl-pyrimidine-2,4(1H,3H)-dione].5,5'-[(4-氟苯基)亚甲基]双-[6-氨基-1,3-二甲基嘧啶-2,4(1H,3H)-二酮]的晶体结构
Acta Crystallogr Sect E Struct Rep Online. 2014 Sep 10;70(Pt 10):o1098-9. doi: 10.1107/S1600536814019886. eCollection 2014 Oct 1.
10
Crystal structure of ethyl 2-(2-fluoro-benzyl-idene)-5-(4-fluoro-phen-yl)-7-methyl-3-oxo-2,3-di-hydro-5H-1,3-thia-zolo[3,2-a]pyrimidine-6-carb-oxy-late.2-(2-氟亚苄基)-5-(4-氟苯基)-7-甲基-3-氧代-2,3-二氢-5H-1,3-噻唑并[3,2-a]嘧啶-6-羧酸乙酯的晶体结构
Acta Crystallogr Sect E Struct Rep Online. 2014 Nov 19;70(Pt 12):o1270-1. doi: 10.1107/S1600536814025008. eCollection 2014 Dec 1.

本文引用的文献

1
r-2,c-6-Bis(4-chloro-phen-yl)-c-3,t-3-dimethyl-piperidin-4-one.R-2，C-6-双（4-氯苯基）-C-3，T-3-二甲基哌啶-4-酮
Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 13;64(Pt 12):o2312. doi: 10.1107/S1600536808036325.
2
r-2,c-6-Bis(4-fluoro-phen-yl)-t-3,t-5-dimethyl-piperidin-4-one.
Acta Crystallogr Sect E Struct Rep Online. 2008 Jan 11;64(Pt 2):o429. doi: 10.1107/S1600536807068699.
3
r-2,c-6-Bis(4-chloro-phen-yl)-t-3-isopropyl-1-nitro-sopiperidin-4-one.R-2，C-6-双（4-氯苯基）-T-3-异丙基-1-硝基哌啶-4-酮
Acta Crystallogr Sect E Struct Rep Online. 2008 Sep 20;64(Pt 10):o1973. doi: 10.1107/S1600536808029723.
4
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.
5
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.
6
Synthesis and NMR spectral studies of N-chloroacetyl-2,6-diarylpiperidin-4-ones.N-氯乙酰基-2,6-二芳基哌啶-4-酮的合成与核磁共振光谱研究
Spectrochim Acta A Mol Biomol Spectrosc. 2007 Dec 31;68(5):1153-63. doi: 10.1016/j.saa.2007.01.013. Epub 2007 Jan 20.
7
The Cambridge Structural Database: a quarter of a million crystal structures and rising.剑桥结构数据库：拥有二十五万个晶体结构且数量不断增加。
Acta Crystallogr B. 2002 Jun;58(Pt 3 Pt 1):380-8. doi: 10.1107/s0108768102003890. Epub 2002 May 29.
8
A conformational and structure-activity relationship study of cytotoxic 3,5-bis(arylidene)-4-piperidones and related N-acryloyl analogues.细胞毒性3,5-双（亚芳基）-4-哌啶酮及相关N-丙烯酰基类似物的构象与构效关系研究
J Med Chem. 2001 Feb 15;44(4):586-93. doi: 10.1021/jm0002580.