• 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-(4-氯苯基)-5-苯基-2,3-二氢-1,3,4-恶二唑-3-基]乙酮

1-[2-(4-Chloro-phen-yl)-5-phenyl-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethanone.

作者信息

Fun Hoong-Kun, Arshad Suhana, Shyma P C, Kalluraya Balakrishna, Arulmoli T

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1901. doi: 10.1107/S1600536812023100. Epub 2012 May 26.

DOI:10.1107/S1600536812023100
PMID:22719656
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3379458/
Abstract

In the title compound, C(16)H(14)ClN(3)O(2), the 2,3-dihydro-1,3,4-oxadiazole ring [maximum deviation = 0.030 (1) Å] and the pyridine ring [maximum deviation = 0.012 (1) Å] are inclined slightly to one another, making a dihedral angle of 11.91 (5)°. The chloro-substituted phenyl ring is almost perpendicular to the 2,3-dihydro-1,3,4-oxadiazole and pyridine rings at dihedral angles of 86.86 (5) and 75.26 (5)°, respectively. In the crystal, π-π [centroid-centroid distance = 3.7311 (6) Å] and C-H⋯π inter-actions are observed.

摘要

在标题化合物C(16)H(14)ClN(3)O(2)中，2,3 - 二氢 - 1,3,4 - 恶二唑环[最大偏差 = 0.030 (1) Å]与吡啶环[最大偏差 = 0.012 (1) Å]彼此略微倾斜，二面角为11.91 (5)°。氯取代的苯环分别与2,3 - 二氢 - 1,3,4 - 恶二唑环和吡啶环几乎垂直，二面角分别为86.86 (5)°和75.26 (5)°。在晶体中，观察到π - π[质心 - 质心距离 = 3.7311 (6) Å]和C - H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9c28/3379458/3c17ed1b924c/e-68-o1901-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9c28/3379458/58ff011f153a/e-68-o1901-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9c28/3379458/3c17ed1b924c/e-68-o1901-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9c28/3379458/58ff011f153a/e-68-o1901-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9c28/3379458/3c17ed1b924c/e-68-o1901-fig2.jpg

相似文献

1
1-[2-(4-Chloro-phen-yl)-5-phenyl-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethanone.1-[2-(4-氯苯基)-5-苯基-2,3-二氢-1,3,4-恶二唑-3-基]乙酮
Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1901. doi: 10.1107/S1600536812023100. Epub 2012 May 26.
2
2-(4-Chloro-phen-yl)-5-{3,4-dibut-oxy-5-[5-(4-chloro-phen-yl)-1,3,4-oxadiazol-2-yl]thio-phen-2-yl}-1,3,4-oxadiazole.2-（4-氯苯基）-5-{3,4-二丁氧基-5-[5-（4-氯苯基）-1,3,4-恶二唑-2-基]硫代苯-2-基}-1,3,4-恶二唑
Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 8;64(Pt 12):o2298. doi: 10.1107/S1600536808035848.
3
N-(4-Chloro-phen-yl)-1-(5-{[(2-phenyl-ethen-yl)sulfon-yl]meth-yl}-1,3,4-oxadiazol-2-yl)methane-sulfonamide.N-（4-氯苯基）-1-（5-{[（2-苯基乙烯基）磺酰基]甲基}-1,3,4-恶二唑-2-基）甲磺酰胺
Acta Crystallogr Sect E Struct Rep Online. 2012 Oct 1;68(Pt 10):o2954. doi: 10.1107/S1600536812037300. Epub 2012 Sep 19.
4
3-(4-Chloro-phen-yl)-1-(4-nitro-phen-yl)benzo[f]quinoline.3-（4-氯苯基）-1-（4-硝基苯基）苯并[f]喹啉
Acta Crystallogr Sect E Struct Rep Online. 2009 Aug 12;65(Pt 9):o2137. doi: 10.1107/S1600536809031122.
5
[3-(4-Chloro-phen-yl)-5-hydr-oxy-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl](3-pyrid-yl)methanone.[3-(4-氯苯基)-5-羟基-5-苯基-4,5-二氢-1H-吡唑-1-基](3-吡啶基)甲酮
Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 13;64(Pt 12):o2363-4. doi: 10.1107/S1600536808037161.
6
4-({[4-Amino-5-(4-chloro-anilinometh-yl)-4H-1,2,4-triazol-3-yl]sulfan-yl}acet-yl)-3-(4-meth-oxy-phen-yl)-1,2,3-oxadiazol-3-ium-5-olate.4 - {[4 - 氨基 - 5 -（4 - 氯苯胺甲基）- 4H - 1,2,4 - 三唑 - 3 - 基]硫烷基}乙酰基 - 3 -（4 - 甲氧基苯基）- 1,2,3 - 恶二唑 - 3 - 鎓 - 5 - 醇盐
Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 13;66(Pt 12):o3178. doi: 10.1107/S1600536810046155.
7
Benzyl N-{2-[5-(4-chloro-phen-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl}carbamate.N-{2-[5-(4-氯苯基)-1,2,4-恶二唑-3-基]丙烷-2-基}苄基氨基甲酸酯
Acta Crystallogr Sect E Struct Rep Online. 2011 Jan 15;67(Pt 2):o420-1. doi: 10.1107/S1600536811001504.
8
(4-Chloro-phen-yl)[1-(4-methoxy-phen-yl)-3-(5-nitro-2-fur-yl)-1H-pyrazol-4-yl]methanone.（4-氯苯基）[1-（4-甲氧基苯基）-3-（5-硝基-2-呋喃基）-1H-吡唑-4-基]甲酮
Acta Crystallogr Sect E Struct Rep Online. 2010 Apr 14;66(Pt 5):o1063-4. doi: 10.1107/S1600536810011931.
9
1-[3-(4-Chloro-phen-yl)-5-(4-meth-oxy-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone.1-[3-(4-氯苯基)-5-(4-甲氧基苯基)-4,5-二氢-1H-吡唑-1-基]乙酮
Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1023. doi: 10.1107/S1600536812009439. Epub 2012 Mar 10.
10
N-[2-({[1-(4-Chloro-phen-yl)-1H-pyrazol-3-yl]-oxy}meth-yl)phen-yl]-N-meth-oxy-hydrazinecarboxamide.N-[2-({[1-(4-氯苯基)-1H-吡唑-3-基]氧基}甲基)苯基]-N-甲氧基肼甲酰胺
Acta Crystallogr Sect E Struct Rep Online. 2012 Oct 1;68(Pt 10):o2916. doi: 10.1107/S1600536812038214. Epub 2012 Sep 12.

本文引用的文献

1
Hantzsch reaction: synthesis and characterization of some new 1,4-dihydropyridine derivatives as potent antimicrobial and antioxidant agents.Hantzsch 反应：一些新型 1,4-二氢吡啶衍生物的合成与表征，作为有效的抗菌和抗氧化剂。
Eur J Med Chem. 2011 Nov;46(11):5591-7. doi: 10.1016/j.ejmech.2011.09.026. Epub 2011 Sep 22.
2
5,5'-Di-4-pyridyl-2,2'-(5-tert-butyl-m-phenyl-ene)bis-(1,3,4-oxadiazole).5,5'-二-4-吡啶基-2,2'-(5-叔丁基-间亚苯基)双-(1,3,4-恶二唑)
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 15;65(Pt 8):o1873. doi: 10.1107/S1600536809027056.
3
2-[4-Acetyl-5-(biphenyl-4-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate.
2-[4-乙酰基-5-(联苯-4-基)-4,5-二氢-1,3,4-恶二唑-2-基]苯基乙酸酯
Acta Crystallogr Sect E Struct Rep Online. 2010 Mar 20;66(Pt 4):o878. doi: 10.1107/S1600536810009621.
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.