• 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

2-（1H-吡唑-3-基）吡啶氯化物一水合物

2-(1H-Pyrazol-3-yl)pyridinium chloride monohydrate.

作者信息

Amarante Tatiana R, Gonçalves Isabel S, Almeida Paz Filipe A

机构信息

Department of Chemistry, University of Aveiro, CICECO, 3810-193 Aveiro, Portugal.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 25;65(Pt 8):o1962-3. doi: 10.1107/S1600536809028402.

DOI:10.1107/S1600536809028402
PMID:21583640
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977379/
Abstract

The title organic salt, C(8)H(8)N(3) (+)·Cl(-)·H(2)O, exhibits a rich hydrogen-bonding network involving all constituent species. The water mol-ecules are engaged in strong O-H⋯Cl inter-actions with the chloride anions, two neighboring protonated 2-(1H-pyrazol-3-yl)pyridinium species inter-act via N-H⋯N bonds with two pyrazole rings. Further, a short and highly directional C-H⋯O inter-action is observed connecting the pyridinium ring to the water mol-ecule of crystallization. Weak C-H⋯Cl and N-H⋯Cl inter-actions contribute to the stabilization of the crystal structure.

摘要

标题有机盐C(8)H(8)N(3) (+)·Cl(-)·H(2)O呈现出一个包含所有组成物种的丰富氢键网络。水分子与氯离子通过O-H⋯Cl强相互作用相连，两个相邻的质子化2-(1H-吡唑-3-基)吡啶鎓物种通过N-H⋯N键与两个吡唑环相互作用。此外，还观察到一个短程且高度定向的C-H⋯O相互作用，将吡啶鎓环与结晶水分子相连。弱C-H⋯Cl和N-H⋯Cl相互作用有助于晶体结构的稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/28fb/2977379/c7ad159a5b01/e-65-o1962-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/28fb/2977379/453cd0010574/e-65-o1962-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/28fb/2977379/ea5ff8edd8d5/e-65-o1962-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/28fb/2977379/06031e94f7c6/e-65-o1962-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/28fb/2977379/aec149fec8f1/e-65-o1962-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/28fb/2977379/c7ad159a5b01/e-65-o1962-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/28fb/2977379/453cd0010574/e-65-o1962-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/28fb/2977379/ea5ff8edd8d5/e-65-o1962-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/28fb/2977379/06031e94f7c6/e-65-o1962-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/28fb/2977379/aec149fec8f1/e-65-o1962-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/28fb/2977379/c7ad159a5b01/e-65-o1962-fig5.jpg

相似文献

1
2-(1H-Pyrazol-3-yl)pyridinium chloride monohydrate.2-（1H-吡唑-3-基）吡啶氯化物一水合物
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 25;65(Pt 8):o1962-3. doi: 10.1107/S1600536809028402.
2
Crystal structure of 3-({[(thio-phen-2-yl)methyl-idene]hydrazin-yl}carbon-yl)pyridinium chloride dihydrate.3-({[(噻吩-2-基)亚甲基]肼基}羰基)吡啶鎓氯化物二水合物的晶体结构
Acta Crystallogr Sect E Struct Rep Online. 2014 Aug 6;70(Pt 9):o976-7. doi: 10.1107/S1600536814017565. eCollection 2014 Sep 1.
3
4-(5-Amino-1H-1,2,4-triazol-3-yl)pyridinium chloride monohydrate.4-（5-氨基-1H-1,2,4-三唑-3-基）吡啶氯化物一水合物
Acta Crystallogr Sect E Struct Rep Online. 2011 Jan 22;67(Pt 2):o466-7. doi: 10.1107/S1600536811002406.
4
Bis{4-[(3,5-dimethyl-1H-pyrazol-4-yl)selan-yl]-3,5-dimethyl-1H-pyrazol-2-ium} chloride monohydrate.一水合氯化双{4-[(3,5-二甲基-1H-吡唑-4-基)硒基]-3,5-二甲基-1H-吡唑-2-鎓}
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2068. doi: 10.1107/S1600536812025640. Epub 2012 Jun 13.
5
Crystal structure of (E)-3-{[2-(2,4-di-chloro-benzyl-idene)hydrazin-1-yl]carbon-yl}pyridinium chloride trihydrate.(E)-3-{[2-(2,4-二氯亚苄基)肼-1-基]羰基}吡啶氯化物三水合物的晶体结构
Acta Crystallogr E Crystallogr Commun. 2015 Jan 10;71(Pt 2):o105-6. doi: 10.1107/S2056989015000286. eCollection 2015 Feb 1.
6
1-(5-Amino-2,4-dinitro-phen-yl)pyridinium chloride monohydrate.1-（5-氨基-2,4-二硝基苯基）氯化吡啶鎓一水合物
Acta Crystallogr Sect E Struct Rep Online. 2012 Oct 1;68(Pt 10):o2941. doi: 10.1107/S1600536812038834. Epub 2012 Sep 15.
7
4-Hy-droxy-1,2,6-tri-methyl-pyridinium bromide monohydrate.
Acta Crystallogr Sect E Struct Rep Online. 2013 May 22;69(Pt 6):o941-2. doi: 10.1107/S1600536813013330. Print 2013 Jun 1.
8
2,6-Di(pyrrolidin-1-yl)pyridinium chloride monohydrate.2,6-二（吡咯烷-1-基）吡啶氯化物一水合物
Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 26;66(Pt 7):o1815-6. doi: 10.1107/S160053681002427X.
9
Crystal structures of three N-(aryl-sulfon-yl)-4-fluoro-benzamides.三种N-（芳基磺酰基）-4-氟苯甲酰胺的晶体结构
Acta Crystallogr E Crystallogr Commun. 2016 Mar 31;72(Pt 4):575-82. doi: 10.1107/S2056989016005089. eCollection 2016 Apr 1.
10
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.

引用本文的文献

1
5-Amino-3-(4H-1,2,4-triazol-4-yl)-1H-1,2,4-triazole.5-氨基-3-(4H-1,2,4-三唑-4-基)-1H-1,2,4-三唑
Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2700-1. doi: 10.1107/S1600536812034691. Epub 2012 Aug 11.
2
4-Phenyl-1-(prop-2-yn-1-yl)-1H-1,5-benzodiazepin-2(3H)-one.4-苯基-1-(2-丙炔-1-基)-1H-1,5-苯并二氮杂䓬-2(3H)-酮
Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):o2075-6. doi: 10.1107/S1600536811027371. Epub 2011 Jul 23.
3
5-Amino-1H-1,2,4-triazol-4-ium-3-carboxyl-ate hemihydrate.

本文引用的文献

1
d(10) Metal complexes assembled from isomeric benzenedicarboxylates and 3-(2-pyridyl)pyrazole showing 1D chain structures: syntheses, structures and luminescent properties.由异构苯二甲酸酯和3-(2-吡啶基)吡唑组装而成的具有一维链状结构的d(10)金属配合物：合成、结构及发光性质
Dalton Trans. 2008 Mar 14(10):1302-11. doi: 10.1039/b716398c. Epub 2008 Jan 21.
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
Microwave assisted synthesis of molybdenum and tungsten tetracarbonyl complexes with a pyrazolylpyridine ligand. Crystal structure of cis-[Mo(CO)4{ethyl[3-(2-pyridyl)-1-pyrazolyl]acetate}].
5-氨基-1H-1,2,4-三唑-4-鎓-3-羧酸盐半水合物
Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):o2073-4. doi: 10.1107/S160053681102811X. Epub 2011 Jul 23.
4
4,4'-Di-tert-butyl-2,2'-dipyridinium dichloride.4,4'-二叔丁基-2,2'-二吡啶二氯化物
Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):o1903-4. doi: 10.1107/S1600536811025529. Epub 2011 Jul 6.
微波辅助合成含吡唑基吡啶配体的钼和钨的四羰基配合物。顺式-[Mo(CO)₄{乙基[3-(2-吡啶基)-1-吡唑基]乙酸酯}]的晶体结构。
Molecules. 2006 Dec 6;11(12):940-52. doi: 10.3390/11120940.
4
Four copper(II) pyrazolido complexes derived from reactions of 3{5}-substituted pyrazoles with CuF(2) or Cu(OH)(2).由3{5}-取代吡唑与CuF(2)或Cu(OH)(2)反应得到的四种铜(II)吡唑啉配合物。
Dalton Trans. 2007 Apr 14(14):1392-9. doi: 10.1039/b618780c. Epub 2007 Mar 9.
5
Syntheses, crystal structures, and magneto-structural correlations of novel Cu(II) complexes containing a planar [Cu(mu-L1)]2 (HL1 = 3-(2-pyridyl)pyrazole) unit: from dinuclear to tetranuclear and then to one-dimensional compounds.
Inorg Chem. 2006 Jan 9;45(1):162-73. doi: 10.1021/ic051488d.
6
Structure and magnetism of a new pyrazolate bridged iron(II) spin crossover complex displaying a single HS-HS to LS-LS transition.一种新型吡唑盐桥联铁（II）自旋交叉配合物的结构与磁性，该配合物呈现单一的高自旋-高自旋到低自旋-低自旋转变
Chem Commun (Camb). 2004 Jan 21(2):156-7. doi: 10.1039/b311818e. Epub 2003 Nov 20.
7
The Cambridge Structural Database: a quarter of a million crystal structures and rising.剑桥结构数据库：拥有二十五万个晶体结构且数量不断增加。
Acta Crystallogr B. 2002 Jun;58(Pt 3 Pt 1):380-8. doi: 10.1107/s0108768102003890. Epub 2002 May 29.
8
Synthesis and X-ray Crystal Structure of a Triple-Stranded Helical Supramolecular Complex Formed between Tris(3-(pyridin-2-yl)pyrazole)ruthenium(II) and Copper(I).三（3-（吡啶-2-基）吡唑）钌（II）与铜（I）形成的三链螺旋超分子配合物的合成与X射线晶体结构
Inorg Chem. 1997 Oct 8;36(21):4618-4619. doi: 10.1021/ic970537m.