• 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

3,5-Bis(4-fluoro-phen-yl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde.

作者信息

Baktır Zeliha, Akkurt Mehmet, Samshuddin S, Narayana B, Yathirajan H S

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1292-3. doi: 10.1107/S160053681101587X. Epub 2011 May 7.

DOI:10.1107/S160053681101587X
PMID:21754699
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3120319/
Abstract

In the title mol-ecule, C(16)H(12)F(2)N(2)O, the pyrazole ring adopts a slight envelope conformation with the methyl-ene C atom deviating by 0.114 (3) Å from the mean plane of the other four atoms [maximum deviation = 0.021 (3) Å]. The dihedral angles between the four essentially planar atoms of the pyrazole ring and the fluoro-substituted benzene rings are 2.6 (2) and 82.2 (2)°. The dihedral angle between the two benzene rings is 83.7 (2)°. The crystal packing is stabilized by weak inter-molecular C-H⋯O hydrogen bonds.

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fc57/3120319/7d033da670aa/e-67-o1292-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fc57/3120319/3a3c94d6ecbc/e-67-o1292-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fc57/3120319/7d033da670aa/e-67-o1292-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fc57/3120319/3a3c94d6ecbc/e-67-o1292-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/fc57/3120319/7d033da670aa/e-67-o1292-fig2.jpg

相似文献

1
3,5-Bis(4-fluoro-phen-yl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde.
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1292-3. doi: 10.1107/S160053681101587X. Epub 2011 May 7.
2
2-[3,5-Bis-(4-fluoro-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4,6-bis(4-fluoro-phenyl)pyrimidine.2-[3,5-双-(4-氟-苯基)-4,5-二氢-1H-吡唑-1-基]-4,6-双(4-氟-苯基)嘧啶
Acta Crystallogr Sect E Struct Rep Online. 2012 Mar 1;68(Pt 3):o807-8. doi: 10.1107/S1600536812006976. Epub 2012 Feb 24.
3
1-[5-(4-Bromo-phen-yl)-3-(4-fluoro-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone.1-[5-(4-溴苯基)-3-(4-氟苯基)-4,5-二氢-1H-吡唑-1-基]乙酮
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2586. doi: 10.1107/S1600536812033351. Epub 2012 Jul 28.
4
5-Benzoyl-4-(4-fluoro-phen-yl)-3,4-dihydro-pyrimidin-2(1H)-one.5-苯甲酰基-4-(4-氟苯基)-3,4-二氢嘧啶-2(1H)-酮
Acta Crystallogr Sect E Struct Rep Online. 2013 Feb 1;69(Pt 2):o196. doi: 10.1107/S1600536812052105. Epub 2013 Jan 9.
5
1-[5-(4-Bromo-phen-yl)-3-(4-fluoro-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]butan-1-one.1-[5-(4-溴苯基)-3-(4-氟苯基)-4,5-二氢-1H-吡唑-1-基]丁-1-酮
Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2655-6. doi: 10.1107/S1600536812034368. Epub 2012 Aug 8.
6
3,5-Bis(4-bromo-phen-yl)-1-phenyl-4,5-dihydro-1H-pyrazole.
Acta Crystallogr Sect E Struct Rep Online. 2010 May 8;66(Pt 6):o1279-80. doi: 10.1107/S1600536810015795.
7
11-[(E)-2-Fluoro-benzyl-idene]-8-(2-fluoro-phen-yl)-14-hy-droxy-6-thia-3,13-diaza-hepta-cyclo-[13.7.1.1(9,13).0(2,9).0(2,14).0(3,7).0(19,23)]tetra-cosa-1(22),15(23),16,18,20-pentaen-10-one.11-[(E)-2-氟亚苄基]-8-(2-氟苯基)-14-羟基-6-硫杂-3,13-二氮杂十七环-[13.7.1.1(9,13).0(2,9).0(2,14).0(3,7).0(19,23)]二十四碳-1(22),15(23),16,18,20-五烯-10-酮
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2094-5. doi: 10.1107/S1600536812025512. Epub 2012 Jun 13.
8
5-(2-Hy-droxy-phen-yl)-3-methyl-4,5-di-hydro-1H-pyrazole-1-carbaldehyde.5 -（2 - 羟基苯基）- 3 - 甲基 - 4,5 - 二氢 - 1H - 吡唑 - 1 - 甲醛
Acta Crystallogr Sect E Struct Rep Online. 2010 Aug 18;66(Pt 9):o2351. doi: 10.1107/S1600536810031600.
9
5-(4-Fluoro-phen-yl)-3-[5-methyl-1-(4-methyl-phen-yl)-1H-1,2,3-triazol-4-yl]-4,5-dihydro-1H-pyrazole-1-carbothio-amide.5-（4-氟苯基）-3-[5-甲基-1-（4-甲基苯基）-1H-1,2,3-三唑-4-基]-4,5-二氢-1H-吡唑-1-碳硫酰胺
Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1954-5. doi: 10.1107/S1600536812024245. Epub 2012 May 31.
10
[3-(5-Nitro-2-fur-yl)-1-phenyl-1H-pyrazol-4-yl](phen-yl)methanone.[3-(5-硝基-2-呋喃基)-1-苯基-1H-吡唑-4-基](苯基)甲酮
Acta Crystallogr Sect E Struct Rep Online. 2010 Apr 30;66(Pt 5):o1229-30. doi: 10.1107/S1600536810015199.

引用本文的文献

1
The crystal structures of two chalcones: (2E)-1-(5-chloro-thio-phen-2-yl)-3-(2-methyl-phen-yl)prop-2-en-1-one and (2E)-1-(anthracen-9-yl)-3-[4-(propan-2-yl)phen-yl]prop-2-en-1-one.两种查耳酮的晶体结构：(2E)-1-(5-氯-噻吩-2-基)-3-(2-甲基-苯基)丙-2-烯-1-酮和(2E)-1-(蒽-9-基)-3-[4-(丙烷-2-基)苯基]丙-2-烯-1-酮。
Acta Crystallogr E Crystallogr Commun. 2016 Jul 19;72(Pt 8):1153-8. doi: 10.1107/S2056989016011592. eCollection 2016 Aug 1.
2
Crystal structure of 1-{3-(4-methyl-phen-yl)-5-[(E)-2-phenyl-ethen-yl]-4,5-di-hydro-1H-pyrazol-1-yl}ethan-1-one.1-{3-(4-甲基-苯基)-5-[(E)-2-苯基-乙烯基]-4,5-二氢-1H-吡唑-1-基}乙-1-酮的晶体结构
Acta Crystallogr E Crystallogr Commun. 2015 Dec 31;71(Pt 12):o1095-6. doi: 10.1107/S2056989015024792. eCollection 2015 Dec 1.
3

本文引用的文献

1
5-(2-Hy-droxy-phen-yl)-3-methyl-4,5-di-hydro-1H-pyrazole-1-carbaldehyde.5 -（2 - 羟基苯基）- 3 - 甲基 - 4,5 - 二氢 - 1H - 吡唑 - 1 - 甲醛
Acta Crystallogr Sect E Struct Rep Online. 2010 Aug 18;66(Pt 9):o2351. doi: 10.1107/S1600536810031600.
2
2,3-Dibromo-1,3-bis-(4-fluoro-phen-yl)propan-1-one.2,3-二溴-1,3-双（4-氟苯基）丙-1-酮
Acta Crystallogr Sect E Struct Rep Online. 2010 Jul 14;66(Pt 8):o2018. doi: 10.1107/S1600536810026905.
3
3,5-Bis(4-fluoro-phen-yl)-1-phenyl-4,5-dihydro-1H-pyrazole.
Crystal structure of 5-(4-meth-oxy-phen-yl)-3-(4-methyl-phen-yl)-4,5-di-hydro-1H-pyrazole-1-carbaldehyde.5-(4-甲氧基苯基)-3-(4-甲基苯基)-4,5-二氢-1H-吡唑-1-甲醛的晶体结构
Acta Crystallogr E Crystallogr Commun. 2015 Dec 31;71(Pt 12):o1093-4. doi: 10.1107/S2056989015023658. eCollection 2015 Dec 1.
4
Crystal structure of 5-[4-(di-methyl-amino)-phen-yl]-3-(4-methyl-phen-yl)-4,5-di-hydro-1H-pyrazole-1-carbaldehyde.5-[4-(二甲基氨基)-苯基]-3-(4-甲基苯基)-4,5-二氢-1H-吡唑-1-甲醛的晶体结构
Acta Crystallogr E Crystallogr Commun. 2015 Dec 9;71(Pt 12):o1031-2. doi: 10.1107/S2056989015023294. eCollection 2015 Dec 1.
5
Crystal structure of 3-(4-methyl-phen-yl)-1-phenyl-5-[(E)-2-phenyl-ethen-yl]-1H-pyrazole.
Acta Crystallogr E Crystallogr Commun. 2015 Dec 6;71(Pt 12):o1020. doi: 10.1107/S2056989015022811. eCollection 2015 Dec 1.
6
Two tautomers in the same crystal: 3-(4-fluoro-phen-yl)-1H-pyrazole and 5-(4-fluoro-phen-yl)-1H-pyrazole.
Acta Crystallogr Sect E Struct Rep Online. 2014 Aug 1;70(Pt 9):o949-50. doi: 10.1107/S160053681401695X. eCollection 2014 Sep 1.
7
1-{3-(4-Chloro-phen-yl)-5-[4-(propan-2-yl)phen-yl]-4,5-di-hydro-1H-pyrazol-1-yl}butan-1-one.1-{3-(4-氯苯基)-5-[4-(丙烷-2-基)苯基]-4,5-二氢-1H-吡唑-1-基}丁-1-酮
Acta Crystallogr Sect E Struct Rep Online. 2014 Jun 11;70(Pt 7):o761-2. doi: 10.1107/S1600536814013063. eCollection 2014 Jul 1.
8
(2E)-1-(4-Chloro-phen-yl)-3-(4-nitro-phen-yl)prop-2-en-1-one.（2E）-1-（4-氯苯基）-3-（4-硝基苯基）丙-2-烯-1-酮
Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 27;69(Pt 5):o790-1. doi: 10.1107/S1600536813010854. Print 2013 May 1.
9
3,5-Bis(4-fluoro-phen-yl)-1-(4-nitro-phen-yl)-4,5-dihydro-1H-pyrazole.3,5-双（4-氟苯基）-1-（4-硝基苯基）-4,5-二氢-1H-吡唑
Acta Crystallogr Sect E Struct Rep Online. 2012 Nov 1;68(Pt 11):o3216-7. doi: 10.1107/S160053681204370X. Epub 2012 Oct 27.
10
(1E,4E)-1-(3-Nitro-phen-yl)-5-phenyl-penta-1,4-dien-3-one.（1E，4E）-1-（3-硝基苯基）-5-苯基-1,4-戊二烯-3-酮
Acta Crystallogr Sect E Struct Rep Online. 2012 Jan;68(Pt 1):o74-5. doi: 10.1107/S1600536811052548. Epub 2011 Dec 10.
Acta Crystallogr Sect E Struct Rep Online. 2010 Jul 7;66(Pt 8):o1948-9. doi: 10.1107/S1600536810026036.
4
Methyl 4,6-bis-(4-fluoro-phen-yl)-2-oxo-cyclo-hex-3-ene-1-carboxyl-ate.
Acta Crystallogr Sect E Struct Rep Online. 2010 Mar 17;66(Pt 4):o864-5. doi: 10.1107/S1600536810009414.
5
1-[3,5-Bis(4-fluoro-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone.
Acta Crystallogr Sect E Struct Rep Online. 2010 Feb 10;66(Pt 3):o582-3. doi: 10.1107/S1600536810004435.
6
3,5-Bis(4-meth-oxy-phen-yl)-1-phenyl-4,5-dihydro-1H-pyrazole.3,5-双（4-甲氧基苯基）-1-苯基-4,5-二氢-1H-吡唑
Acta Crystallogr Sect E Struct Rep Online. 2011 Jan 12;67(Pt 2):o328-9. doi: 10.1107/S1600536811000687.
7
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.
8
Synthesis and pharmacological evaluation of pyrazoline derivatives as new anti-inflammatory and analgesic agents.作为新型抗炎和镇痛药的吡唑啉衍生物的合成及药理评价
Bioorg Med Chem Lett. 2008 Feb 1;18(3):918-22. doi: 10.1016/j.bmcl.2007.12.043. Epub 2008 Jan 7.
9
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.
10
Synthesis of some pyrazole derivatives and preliminary investigation of their affinity binding to P-glycoprotein.一些吡唑衍生物的合成及其与P-糖蛋白亲和力结合的初步研究。
Bioorg Med Chem Lett. 2005 Oct 15;15(20):4632-5. doi: 10.1016/j.bmcl.2005.05.067.