• 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-（4-甲氧基苯基）-1-苯基-1H-吡唑-4-甲醛

3-(4-Meth-oxy-phen-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde.

作者信息

Prasath R, Bhavana P, Ng Seik Weng, Tiekink Edward R T

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o2962-3. doi: 10.1107/S1600536811041808. Epub 2011 Oct 12.

DOI:10.1107/S1600536811041808
PMID:22219987
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3247369/
Abstract

Four independent mol-ecules comprise the asymmetric unit of the title compound, C(17)H(14)N(2)O(2). The central pyrazoline ring is flanked by an N-bound benzene ring and a C-bound meth-oxy-substituted benzene ring. The greatest difference between the independent mol-ecules is found in the relative orientations of the benzene rings with the range of dihedral angles being 23.59 (6)-42.55 (6)°. In the crystal, extensive C-H⋯O inter-actions link mol-ecules into layers parallel to (02[Formula: see text]) and these are linked by C-H⋯π contacts.

摘要

标题化合物C(17)H(14)N(2)O(2)的不对称单元由四个独立分子组成。中心吡唑啉环两侧分别为一个与氮相连的苯环和一个与碳相连的甲氧基取代苯环。独立分子之间的最大差异在于苯环的相对取向，二面角范围为23.59 (6)-42.55 (6)°。在晶体中，广泛的C-H⋯O相互作用将分子连接成平行于(02[化学式：见原文])的层，并且这些层通过C-H⋯π接触相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7698/3247369/dd14c2aa2ebc/e-67-o2962-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7698/3247369/240a5f09b38a/e-67-o2962-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7698/3247369/e10405de0702/e-67-o2962-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7698/3247369/57bb116fa322/e-67-o2962-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7698/3247369/dd14c2aa2ebc/e-67-o2962-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7698/3247369/240a5f09b38a/e-67-o2962-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7698/3247369/e10405de0702/e-67-o2962-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7698/3247369/57bb116fa322/e-67-o2962-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7698/3247369/dd14c2aa2ebc/e-67-o2962-fig4.jpg

相似文献

1
3-(4-Meth-oxy-phen-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde.3-（4-甲氧基苯基）-1-苯基-1H-吡唑-4-甲醛
Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o2962-3. doi: 10.1107/S1600536811041808. Epub 2011 Oct 12.
2
3-(4-Amino-phen-yl)-5-(4-meth-oxy-phen-yl)-4,5-di-hydro-1H-pyrazole-1-carbo-thio-amide.
Acta Crystallogr Sect E Struct Rep Online. 2013 Jul 10;69(Pt 8):o1227-8. doi: 10.1107/S1600536813018096. eCollection 2013.
3
1-[4-(Difluoro-meth-oxy)phen-yl]-N-(3,4-dimeth-oxy-phen-yl)-1H-1,2,4-triazole-3-carboxamide.1-[4-(二氟甲氧基)苯基]-N-(3,4-二甲氧基苯基)-1H-1,2,4-三唑-3-甲酰胺
Acta Crystallogr Sect E Struct Rep Online. 2010 Aug 11;66(Pt 9):o2267-8. doi: 10.1107/S1600536810029661.
4
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.
5
Dimethyl 4-[3-(4-meth-oxy-phen-yl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate dihydrate.4-[3-(4-甲氧基苯基)-1-苯基-1H-吡唑-4-基]-2,6-二甲基-1,4-二氢吡啶-3,5-二羧酸二甲酯二水合物
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2210-1. doi: 10.1107/S1600536812027936. Epub 2012 Jun 27.
6
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.
7
3-(4-Chloro-phen-yl)-5-(4-eth-oxy-phen-yl)-4,5-dihydro-1H-pyrazole-1-carbothio-amide ethanol monosolvate.
Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 2;69(Pt 4):o464-5. doi: 10.1107/S1600536813005369. Print 2013 Apr 1.
8
Crystal structures of three carbazole derivatives: 12-ethyl-7-phenyl-sulfonyl-7-benzofuro[2,3-]carbazole, (1), 2-(4,5-dimeth-oxy-2-nitro-phen-yl)-4-hy-droxy-9-phenyl-sulfonyl-9-carbazole-3-carbaldehyde, (2), and 12-phenyl-7-phenyl-sulfonyl-7-benzofuro[2,3-]carbazole, (3).三种咔唑衍生物的晶体结构：12-乙基-7-苯基磺酰基-7-苯并呋喃并[2,3-]咔唑，（1）；2-（4,5-二甲氧基-2-硝基苯基）-4-羟基-9-苯基磺酰基-9-咔唑-3-甲醛，（2）；以及12-苯基-7-苯基磺酰基-7-苯并呋喃并[2,3-]咔唑，（3）。
Acta Crystallogr E Crystallogr Commun. 2016 Nov 4;72(Pt 12):1744-1750. doi: 10.1107/S2056989016016819. eCollection 2016 Dec 1.
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
4-[(1)-({[(Benzyl-sulfan-yl)methane-thio-yl]amino}-imino)-meth-yl]benzene-1,3-diol chloro-form hemisolvate: crystal structure, Hirshfeld surface analysis and computational study.4-[(1)-({[(苄基硫烷基)甲硫基]氨基}-亚氨基)-甲基]苯-1,3-二醇氯仿半溶剂化物：晶体结构、 Hirshfeld表面分析及计算研究
Acta Crystallogr E Crystallogr Commun. 2020 Jun 2;76(Pt 7):990-997. doi: 10.1107/S2056989020007070. eCollection 2020 Jul 1.

引用本文的文献

1
Dual inhibitors of hepatitis C virus and hepatocellular carcinoma: design, synthesis and docking studies.丙型肝炎病毒与肝细胞癌的双重抑制剂：设计、合成及对接研究
Future Sci OA. 2017 Oct 25;4(1):FSO252. doi: 10.4155/fsoa-2017-0075. eCollection 2018 Jan.

本文引用的文献

1
3-(4-Bromo-phen-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde.3-（4-溴苯基）-1-苯基-1H-吡唑-4-甲醛
Acta Crystallogr Sect E Struct Rep Online. 2011 Oct 1;67(Pt 10):o2650. doi: 10.1107/S1600536811036841. Epub 2011 Sep 17.
2
N'-[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene] 2/4-substituted hydrazides: synthesis and anticonvulsant activity.N'-[(5-氯-3-甲基-1-苯基-1H-吡唑-4-基)亚甲基]-2/4-取代腙类化合物的合成及抗惊厥活性。
Eur J Med Chem. 2010 Sep;45(9):3943-9. doi: 10.1016/j.ejmech.2010.05.049. Epub 2010 Jun 1.
3
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.
4
Synthesis, biological evaluation, and structural studies on N1 and C5 substituted cycloalkyl analogues of the pyrazole class of CB1 and CB2 ligands.吡唑类CB1和CB2配体的N1和C5取代环烷基类似物的合成、生物学评价及结构研究
Bioorg Med Chem. 2004 Jan 15;12(2):393-404. doi: 10.1016/j.bmc.2003.10.045.
5
Qmol: a program for molecular visualization on Windows-based PCs.Qmol：一款用于在基于Windows的个人电脑上进行分子可视化的程序。
J Mol Graph Model. 2001;19(6):557-9, 609. doi: 10.1016/s1093-3263(01)00090-0.