• 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

4-甲基-5-苯基-1H-吡唑-3-醇

4-Methyl-5-phenyl-1H-pyrazol-3-ol.

作者信息

Shahani Tara, Fun Hoong-Kun, Ragavan R Venkat, Vijayakumar V, Sarveswari S

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 18;66(Pt 7):o1697-8. doi: 10.1107/S1600536810022828.

DOI:10.1107/S1600536810022828
PMID:21587918
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3006807/
Abstract

The title compound, C(10)H(10)N(2)O, crystallizes with two independent mol-ecules in the asymmetric unit, having closely comparable geometries. The dihedral angles between the 1H-pyrazole and benzene rings in the two mol-ecules are 39.57 (14) and 41.95 (13)°. The two mol-ecules are each connected to neighbouring mol-ecules by pairs of inter-molecular O-H⋯N hydrogen bonds, forming dimers with R(2) (2)(8) ring motifs. These dimers are further linked into R(4) (4)(10) ring motifs by inter-molecular N-H⋯O hydrogen bonds, forming chains along [101]. The crystal structure is further stabilized by a C-H⋯π inter-action.

摘要

标题化合物C(10)H(10)N(2)O在不对称单元中以两个独立分子结晶,其几何结构相近。两个分子中1H-吡唑环与苯环之间的二面角分别为39.57 (14)°和41.95 (13)°。两个分子均通过分子间O-H⋯N氢键对与相邻分子相连,形成具有R(2) (2)(8)环模式的二聚体。这些二聚体通过分子间N-H⋯O氢键进一步连接成R(4) (4)(10)环模式,沿[101]方向形成链状结构。晶体结构通过C-H⋯π相互作用进一步稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/28fb/3006807/c4355f6d4760/e-66-o1697-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/28fb/3006807/0a03ac2d670a/e-66-o1697-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/28fb/3006807/c4355f6d4760/e-66-o1697-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/28fb/3006807/0a03ac2d670a/e-66-o1697-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/28fb/3006807/c4355f6d4760/e-66-o1697-fig2.jpg

相似文献

1
4-Methyl-5-phenyl-1H-pyrazol-3-ol.4-甲基-5-苯基-1H-吡唑-3-醇
Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 18;66(Pt 7):o1697-8. doi: 10.1107/S1600536810022828.
2
5-Pentyl-4-phenyl-sulfonyl-1H-pyrazol-3-ol.5-戊基-4-苯基磺酰基-1H-吡唑-3-醇
Acta Crystallogr Sect E Struct Rep Online. 2010 May 29;66(Pt 6):o1482-3. doi: 10.1107/S1600536810019458.
3
4-[(5-Hydr-oxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)phenyl-meth-yl]-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one ethanol hemisolvate.4-[(5-羟基-3-甲基-1-苯基-1H-吡唑-4-基)苯甲基]-5-甲基-2-苯基-1H-吡唑-3(2H)-酮乙醇半溶剂化物
Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 10;65(Pt 1):o66-7. doi: 10.1107/S1600536808039081.
4
Crystal structure and Hirshfeld surface analysis of -{2-[()-(4-methyl-benzyl-idene)amino]-phen-yl}-2-(5-methyl-1--pyrazol-3-yl)acetamide hemihydrate.-{2-[()-(4-甲基-亚苄基)氨基]-苯基}-2-(5-甲基-1H-吡唑-3-基)乙酰胺半水合物的晶体结构和 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2019 Jan 8;75(Pt 2):154-158. doi: 10.1107/S2056989018017747. eCollection 2019 Feb 1.
5
N-(2-Methyl-phen-yl)-6-(1H-pyrazol-1-yl)pyridazin-3-amine.N-(2-甲基苯基)-6-(1H-吡唑-1-基)哒嗪-3-胺
Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 20;65(Pt 7):o1628. doi: 10.1107/S1600536809022867.
6
5-Methoxy-methyl-4-phen-oxy-1H-pyrazol-3-ol.5-甲氧基甲基-4-苯氧基-1H-吡唑-3-醇
Acta Crystallogr Sect E Struct Rep Online. 2009 Nov 28;65(Pt 12):o3249-50. doi: 10.1107/S1600536809050302.
7
Co-crystallization of a neutral mol-ecule and its zwitterionic tautomer: structure and Hirshfeld surface analysis of 5-methyl-4-(5-methyl-1-pyrazol-3-yl)-2-phenyl-2,3-di-hydro-1-pyrazol-3-one 5-methyl-4-(5-methyl-1-pyrazol-2-ium-3-yl)-3-oxo-2-phenyl-2,3-di-hydro-1-pyrazol-1-ide monohydrate.一种中性分子与其两性离子互变异构体的共结晶:5-甲基-4-(5-甲基-1-吡唑-3-基)-2-苯基-2,3-二氢-1-吡唑-3-酮5-甲基-4-(5-甲基-1-吡唑-2-鎓-3-基)-3-氧代-2-苯基-2,3-二氢-1-吡唑-1-化物一水合物的结构和 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2019 Apr 5;75(Pt 5):565-570. doi: 10.1107/S2056989019004389. eCollection 2019 May 1.
8
4-Methyl-5-phenyl-1H-pyrazol-3(2H)-one.4-甲基-5-苯基-1H-吡唑-3(2H)-酮
Acta Crystallogr Sect E Struct Rep Online. 2010 Dec 18;67(Pt 1):o151-2. doi: 10.1107/S160053681005213X.
9
3-(2,5-Dimethyl-furan-3-yl)-1H-pyrazol-5-ol-ethyl 3-(propan-2-yl-idene)carbazate (1/1).3-(2,5-二甲基-呋喃-3-基)-1H-吡唑-5-醇与3-(丙烷-2-亚基)肼基甲酸乙酯(1/1)
Acta Crystallogr Sect E Struct Rep Online. 2010 Oct 31;66(Pt 11):o3020-1. doi: 10.1107/S1600536810043886.
10
Crystal structure of ()-4-hy-droxy-'-(3-meth-oxy-benzyl-idene)benzohydrazide.()-4-羟基-'-(3-甲氧基-亚苄基)苯甲酰肼的晶体结构
Acta Crystallogr E Crystallogr Commun. 2016 Aug 26;72(Pt 9):1339-1342. doi: 10.1107/S2056989016013268. eCollection 2016 Sep 1.

引用本文的文献

1
β-Keto esters from ketones and ethyl chloroformate: a rapid, general, efficient synthesis of pyrazolones and their antimicrobial, in silico and in vitro cytotoxicity studies.由酮和氯甲酸乙酯合成β-酮酯:吡唑啉酮的快速、通用、高效合成及其抗菌、计算机模拟和体外细胞毒性研究
Org Med Chem Lett. 2013 Jul 19;3(1):6. doi: 10.1186/2191-2858-3-6.
2
3-Ethyl-4-phen-oxy-1-(2,2,2-trifluoro-eth-yl)-1H-pyrazol-5-ol.3-乙基-4-苯氧基-1-(2,2,2-三氟乙基)-1H-吡唑-5-醇
Acta Crystallogr Sect E Struct Rep Online. 2010 Jul 7;66(Pt 8):o1937-8. doi: 10.1107/S1600536810025948.
3
4-Methyl-5-phenyl-1H-pyrazol-3(2H)-one.

本文引用的文献

1
Tert-butyl 3-oxo-2,3,4,5,6,7-hexa-hydro-1H-pyrazolo[4,3-c]pyridine-5-carboxyl-ate.3-氧代-2,3,4,5,6,7-六氢-1H-吡唑并[4,3-c]吡啶-5-羧酸叔丁酯
Acta Crystallogr Sect E Struct Rep Online. 2009 Dec 16;66(Pt 1):o142-3. doi: 10.1107/S1600536809053021.
2
5-Pentyl-4-phenyl-sulfonyl-1H-pyrazol-3-ol.5-戊基-4-苯基磺酰基-1H-吡唑-3-醇
Acta Crystallogr Sect E Struct Rep Online. 2010 May 29;66(Pt 6):o1482-3. doi: 10.1107/S1600536810019458.
3
5-Ethyl-4-methyl-1H-pyrazol-3(2H)-one.5-乙基-4-甲基-1H-吡唑-3(2H)-酮
4-甲基-5-苯基-1H-吡唑-3(2H)-酮
Acta Crystallogr Sect E Struct Rep Online. 2010 Dec 18;67(Pt 1):o151-2. doi: 10.1107/S160053681005213X.
Acta Crystallogr Sect E Struct Rep Online. 2010 May 15;66(Pt 6):o1357-8. doi: 10.1107/S160053681001696X.
4
5-Methoxy-methyl-4-phen-oxy-1H-pyrazol-3-ol.5-甲氧基甲基-4-苯氧基-1H-吡唑-3-醇
Acta Crystallogr Sect E Struct Rep Online. 2009 Nov 28;65(Pt 12):o3249-50. doi: 10.1107/S1600536809050302.
5
Synthesis and antimicrobial activities of novel 1,5-diaryl pyrazoles.新型 1,5-二芳基吡唑的合成及抗菌活性研究。
Eur J Med Chem. 2010 Mar;45(3):1173-80. doi: 10.1016/j.ejmech.2009.12.042. Epub 2009 Dec 28.
6
Synthesis of some novel bioactive 4-oxy/thio substituted-1H-pyrazol-5(4H)-ones via efficient cross-Claisen condensation.通过高效交叉克莱森缩合反应合成一些新型生物活性4-氧基/硫代取代-1H-吡唑-5(4H)-酮
Eur J Med Chem. 2009 Oct;44(10):3852-7. doi: 10.1016/j.ejmech.2009.04.010. Epub 2009 Apr 14.
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
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.
9
Myocardial protection of MCI-186 in rabbit ischemia-reperfusion.MCI-186对兔缺血再灌注的心肌保护作用
Life Sci. 2002 Sep 27;71(19):2249-55. doi: 10.1016/s0024-3205(02)01965-3.
10
Synthesis and preliminary evaluation of new 5-pyrazolinone derivatives as analgesic agents.
Eur J Med Chem. 2000 Mar;35(3):359-64. doi: 10.1016/s0223-5234(00)00117-3.