• 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

7a-苯基-四氢-吡咯并-[2,1-]恶唑-5(6)-酮

7a-Phenyl-tetra-hydro-pyrrolo-[2,1-]oxazol-5(6)-one.

作者信息

Linkova Elena I, Grinev Vyacheslav S, Mayorova Oksana A, Yegorova Alevtina Yu

机构信息

Institute of Chemistry, N.G. Chernyshevsky National Research Saratov State University, Ulitsa Astrakhanskaya, 83, Saratov 410012, Russian Federation.

Institute of Biochemistry and Physiology of Plants and Microorganisms, Russian Academy of Sciences, 13 Prospekt Entuziastov, Saratov 410049, Russian Federation.

出版信息

IUCrdata. 2020 Jul 10;5(Pt 7):x200919. doi: 10.1107/S2414314620009190. eCollection 2020 Jul.

DOI:10.1107/S2414314620009190
PMID:36339787
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9462255/
Abstract

In the title compound, CHNO, the pyrrolidinone moiety is almost flat while the oxazole ring adopts an envelope conformation with the carbon atom bearing the phenyl substituent as the flap: the angle between the mean planes of the fused heterocyclic rings is 45.47 (19)°. In the crystal, C-H⋯O and C-H⋯π contacts link the mol-ecules into infinite [010] chains.

摘要

在标题化合物CHNO中,吡咯烷酮部分几乎是平面的,而恶唑环采取信封式构象,带有苯基取代基的碳原子作为折边:稠合杂环的平均平面之间的夹角为45.47 (19)°。在晶体中,C—H⋯O和C—H⋯π接触将分子连接成无限的[010]链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f653/9462255/e5a066d7eab6/x-05-x200919-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f653/9462255/366061cdd973/x-05-x200919-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f653/9462255/b48bd0035c16/x-05-x200919-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f653/9462255/e5a066d7eab6/x-05-x200919-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f653/9462255/366061cdd973/x-05-x200919-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f653/9462255/b48bd0035c16/x-05-x200919-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f653/9462255/e5a066d7eab6/x-05-x200919-fig3.jpg

相似文献

1
7a-Phenyl-tetra-hydro-pyrrolo-[2,1-]oxazol-5(6)-one.7a-苯基-四氢-吡咯并-[2,1-]恶唑-5(6)-酮
IUCrdata. 2020 Jul 10;5(Pt 7):x200919. doi: 10.1107/S2414314620009190. eCollection 2020 Jul.
2
Crystal structures of 6a,6b,7,11a-tetra-hydro-6,9-spiro-[chromeno[3',4':3,4]pyrrolo-[1,2-]thia-zole-11,3'-indoline]-2',6-dione and 5'-methyl-6a,6b,7,11a-tetra-hydro-6,9-spiro-[chromeno[3',4':3,4]pyrrolo-[1,2-]thia-zole-11,3'-indoline]-2',6-dione.6a,6b,7,11a-四氢-6,9-螺-[色烯并[3',4':3,4]吡咯并-[1,2-]噻唑-11,3'-吲哚啉]-2',6-二酮和5'-甲基-6a,6b,7,11a-四氢-6,9-螺-[色烯并[3',4':3,4]吡咯并-[1,2-]噻唑-11,3'-吲哚啉]-2',6-二酮的晶体结构
Acta Crystallogr E Crystallogr Commun. 2019 Jan 22;75(Pt 2):246-250. doi: 10.1107/S2056989019000045. eCollection 2019 Feb 1.
3
3-Benzyl-7-meth-oxy-9-phenyl-2-tosyl-2,3,3a,4,9,9a-hexa-hydro-1H-pyrrolo[3,4-b]quinoline.3-苄基-7-甲氧基-9-苯基-2-对甲苯磺酰基-2,3,3a,4,9,9a-六氢-1H-吡咯并[3,4-b]喹啉
Acta Crystallogr Sect E Struct Rep Online. 2009 Oct 31;65(Pt 11):o2956-7. doi: 10.1107/S1600536809044973.
4
3-Benzyl-7-bromo-9-phenyl-2-tosyl-2,3,3a,4,9,9a-hexa-hydro-1H-pyrrolo[3,4-b]quinoline.3-苄基-7-溴-9-苯基-2-对甲苯磺酰基-2,3,3a,4,9,9a-六氢-1H-吡咯并[3,4-b]喹啉
Acta Crystallogr Sect E Struct Rep Online. 2009 Nov 7;65(Pt 12):o3001-2. doi: 10.1107/S1600536809045875.
5
Crystal structure of 7'-(4-chloro-phen-yl)-2''-(4-meth-oxy-phen-yl)-7',7a',7'',8''-tetra-hydro-1',3',5''-di-spiro-[indoline-3,5'-pyrrolo-[1,2-]thia-zole-6',6''-quinoline]-2,5''-dione and an unknown solvent.7'-(4-氯苯基)-2''-(4-甲氧基苯基)-7',7a',7'',8''-四氢-1',3',5''-二螺-[吲哚啉-3,5'-吡咯并-[1,2-]噻唑-6',6''-喹啉]-2,5''-二酮与一种未知溶剂的晶体结构
Acta Crystallogr E Crystallogr Commun. 2019 Jan 11;75(Pt 2):189-193. doi: 10.1107/S2056989019000112. eCollection 2019 Feb 1.
6
3-Benzyl-7-chloro-9-phenyl-2-tosyl-2,3,3a,4,9,9a-hexa-hydro-1H-pyrrolo[3,4-b]quinoline.3-苄基-7-氯-9-苯基-2-对甲苯磺酰基-2,3,3a,4,9,9a-六氢-1H-吡咯并[3,4-b]喹啉
Acta Crystallogr Sect E Struct Rep Online. 2009 Nov 4;65(Pt 12):o2973-4. doi: 10.1107/S1600536809045267.
7
Crystal structure of 15-(2-chloro-phen-yl)-6b-hy-droxy-17-methyl-6b,7,16,17-tetra-hydro-7,14a-methanona-phtho[1',8':1,2,3]pyrrolo-[3',2':8,8a]azuleno[5,6-b]quinolin-14(15H)-one.15-(2-氯苯基)-6b-羟基-17-甲基-6b,7,16,17-四氢-7,14a-亚甲基萘并[1',8':1,2,3]吡咯并[3',2':8,8a]薁并[5,6-b]喹啉-14(15H)-酮的晶体结构
Acta Crystallogr E Crystallogr Commun. 2015 Dec 31;71(Pt 12):o1091-2. doi: 10.1107/S2056989015024767. eCollection 2015 Dec 1.
8
Spontaneous resolution and crystal structure of (2)-2-(3-nitro-phen-yl)-3-phenyl-2,3,5,6-tetra-hydro-4-1,3-thia-zin-4-one; crystal structure of -2-(4-nitro-phen-yl)-3-phenyl-2,3,5,6-tetra-hydro-4-1,3-thia-zin-4-one.(2)-2-(3-硝基苯基)-3-苯基-2,3,5,6-四氢-4H-1,3-噻嗪-4-酮的自发拆分与晶体结构;-2-(4-硝基苯基)-3-苯基-2,3,5,6-四氢-4H-1,3-噻嗪-4-酮的晶体结构
Acta Crystallogr E Crystallogr Commun. 2018 Mar 6;74(Pt 4):454-457. doi: 10.1107/S2056989018003444. eCollection 2018 Apr 1.
9
3-Benzyl-7-methyl-9-phenyl-2-tosyl-2,3,3a,4,9,9a-hexa-hydro-1H-pyrrolo[3,4-b]quinoline.3-苄基-7-甲基-9-苯基-2-对甲苯磺酰基-2,3,3a,4,9,9a-六氢-1H-吡咯并[3,4-b]喹啉
Acta Crystallogr Sect E Struct Rep Online. 2009 Oct 31;65(Pt 11):o2924-5. doi: 10.1107/S1600536809044481.
10
3-(4-Chloro-phen-yl)-5-phenyl-4,5-di-hydro-1,3-oxazole.3-(4-氯苯基)-5-苯基-4,5-二氢-1,3-恶唑
Acta Crystallogr Sect E Struct Rep Online. 2012 Nov 1;68(Pt 11):o3215. doi: 10.1107/S1600536812043711. Epub 2012 Oct 27.

本文引用的文献

1
Crystal structures, packing features, Hirshfeld surface analyses and DFT calculations of hydrogen-bond energy of two homologous 8a-aryl-2,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidin-6(1H)-ones.两种同系物8a-芳基-2,3,4,7,8,8a-六氢吡咯并[1,2-a]嘧啶-6(1H)-酮的晶体结构、堆积特征、 Hirshfeld表面分析及氢键能的密度泛函理论计算
Acta Crystallogr C Struct Chem. 2020 May 1;76(Pt 5):483-489. doi: 10.1107/S2053229620005409. Epub 2020 Apr 24.
2
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.
3
Synthesis and anticonvulsant activity of some 1,2,3,3a-tetrahydropyrrolo[2,1-b]-benzothiazol-, -thiazol- or -oxazol-1-ones in rodents.
一些1,2,3,3a-四氢吡咯并[2,1-b]-苯并噻唑-、-噻唑-或-恶唑-1-酮在啮齿动物中的合成及抗惊厥活性
J Pharm Pharmacol. 1996 Aug;48(8):834-40. doi: 10.1111/j.2042-7158.1996.tb03984.x.
4
Synthesis and central nervous system depressant activity of some bicyclic amides.某些双环酰胺的合成及其对中枢神经系统的抑制活性
J Med Chem. 1976 Mar;19(3):436-8. doi: 10.1021/jm00225a023.