• 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-氨基甲酰吡啶-1-鎓 2,2,2-三氯乙酸异烟酰胺(1/1)

4-Carbamoylpyridin-1-ium 2,2,2-tri-chloro-acetate-isonicotinamide (1/1).

作者信息

Perdih Franc

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2818. doi: 10.1107/S1600536812037002. Epub 2012 Aug 31.

DOI:10.1107/S1600536812037002
PMID:22969688
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3435842/
Abstract

In the crystal structure of the title 1:1 co-crystal, C(6)H(7)N(2)O(+)·C(2)Cl(3)O(2) (-)·C(6)H(6)N(2)O, the amide groups of the 4-carbamoylpyridin-1-ium ion and the isonicotinamide mol-ecule are twisted out of the plane of the aromatic ring with C-C-C-N torsion angles of 21.5 (4) and -33.5 (4)°, respectively. The 4-carbamoylpyridin-1-ium and isonicotinamide amide groups form R(2) (2)(8) hydrogen-bonded dimers via N-H⋯O=C inter-actions. The two remaining amide H atoms (i) link dimers via the cation to an isonicotinamide and (ii) from the isonicotinamide to a trichloro-acetate anion. The pyridinium H atom also forms an N-H⋯O hydrogen bond with the trichloro-acetate anion. Due to the extended hydrogen bonding, including C-H⋯O and C-H⋯Cl interactions, all components in the structure aggregate into a three-dimensional supra-molecular framework.

摘要

在标题为1:1共晶体C(6)H(7)N(2)O(+)·C(2)Cl(3)O(2) (-)·C(6)H(6)N(2)O的晶体结构中,4-氨甲酰基吡啶-1-鎓离子和异烟酰胺分子的酰胺基团扭转出芳香环平面,C-C-C-N扭转角分别为21.5 (4)°和-33.5 (4)°。4-氨甲酰基吡啶-1-鎓和异烟酰胺的酰胺基团通过N-H⋯O=C相互作用形成R(2) (2)(8)氢键二聚体。其余两个酰胺H原子:(i) 通过阳离子将二聚体连接到异烟酰胺,(ii) 从异烟酰胺连接到三氯乙酸根阴离子。吡啶鎓H原子也与三氯乙酸根阴离子形成N-H⋯O氢键。由于包括C-H⋯O和C-H⋯Cl相互作用在内的广泛氢键作用,结构中的所有组分聚集形成三维超分子框架。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/93e2/3435842/93aa0f7fef20/e-68-o2818-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/93e2/3435842/e8062acca435/e-68-o2818-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/93e2/3435842/d84875614d19/e-68-o2818-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/93e2/3435842/93aa0f7fef20/e-68-o2818-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/93e2/3435842/e8062acca435/e-68-o2818-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/93e2/3435842/d84875614d19/e-68-o2818-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/93e2/3435842/93aa0f7fef20/e-68-o2818-fig3.jpg

相似文献

1
4-Carbamoylpyridin-1-ium 2,2,2-tri-chloro-acetate-isonicotinamide (1/1).4-氨基甲酰吡啶-1-鎓 2,2,2-三氯乙酸异烟酰胺(1/1)
Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2818. doi: 10.1107/S1600536812037002. Epub 2012 Aug 31.
2
4-Carbamoylpyridin-1-ium 2,2,2-trichloro-acetate.4-氨基甲酰吡啶鎓 2,2,2-三氯乙酸盐
Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2733. doi: 10.1107/S1600536812035507. Epub 2012 Aug 23.
3
Crystal structure and Hirshfeld surface analysis of 2,4-di-amino-6-methyl-1,3,5-triazin-1-ium tri-chloro-acetate monohydrate.2,4-二氨基-6-甲基-1,3,5-三嗪鎓三氯乙酸盐水合物的晶体结构与 Hirshfeld 表面分析
Acta Crystallogr E Crystallogr Commun. 2018 Jun 12;74(Pt 7):944-948. doi: 10.1107/S2056989018008307. eCollection 2018 Jul 1.
4
Isonicotinamide-2-naphthoic acid (1/1).异烟酰胺 - 2 - 萘甲酸(1/1)
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3440. doi: 10.1107/S1600536811050057. Epub 2011 Nov 25.
5
Bis(3-carbamoylpyridin-1-ium) phosphite mono-hydrate.亚磷酸双(3-氨基甲酰吡啶-1-鎓)一水合物
Acta Crystallogr E Crystallogr Commun. 2018 Aug 21;74(Pt 9):1295-1298. doi: 10.1107/S2056989018011192. eCollection 2018 Sep 1.
6
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.
7
Creatininium 2-chloro-acetate.肌酸 2 - 氯乙酸盐
Acta Crystallogr Sect E Struct Rep Online. 2012 May 1;68(Pt 5):o1285-6. doi: 10.1107/S1600536812012068. Epub 2012 Apr 4.
8
7-(2,2-Dimethylpropanamido)-2-methyl-1,8-naphthyridin-1-ium chloride monohydrate.7-(2,2-二甲基丙酰胺基)-2-甲基-1,8-萘啶鎓氯化物一水合物
Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 17;65(Pt 2):o340. doi: 10.1107/S1600536808042955.
9
2-Amino-5-chloro-pyrimidin-1-ium hydrogen maleate.2-氨基-5-氯嘧啶-1-鎓马来酸氢盐
Acta Crystallogr Sect E Struct Rep Online. 2012 Jan;68(Pt 1):o108. doi: 10.1107/S1600536811051646. Epub 2011 Dec 14.
10
Diaqua-bis[4-(dimethyl-amino)benzoato](isonicotinamide)zinc(II).二水合双[4-(二甲基氨基)苯甲酸根合](异烟酰胺)锌(II)
Acta Crystallogr Sect E Struct Rep Online. 2009 May 14;65(Pt 6):m651-2. doi: 10.1107/S1600536809017620.

本文引用的文献

1
Isonicotinamide-2-naphthoic acid (1/1).异烟酰胺 - 2 - 萘甲酸(1/1)
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3440. doi: 10.1107/S1600536811050057. Epub 2011 Nov 25.
2
Benefits of cocrystallisation in pharmaceutical materials science: an update.药物材料科学中共晶的益处:更新。
J Pharm Pharmacol. 2010 Nov;62(11):1547-59. doi: 10.1111/j.2042-7158.2010.01133.x.
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.