• 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

(S)-2-(1-羟乙基)苯并咪唑磷酸二氢盐

(S)-2-(1-Hydroxy-ethyl)benzimid-azolium dihydrogen phosphate.

作者信息

Xia Rong

机构信息

Ordered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 29;65(Pt 8):o2032. doi: 10.1107/S1600536809028451.

DOI:10.1107/S1600536809028451
PMID:21583698
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977472/
Abstract

The asymmetric unit of the title compound, C(9)H(11)N(2)O(+)·H(2)PO(4) (-), is built up from a 2-(1-hydroxy-ethyl)benz-imid-a-zol-ium cation and a dihydrogen phosphate anion which are connected by an N-H⋯O hydrogen bond. The cation is roughly planar, the dihedral angle between the rings being only 1.4 (2)°. The S configuration is deduced from the synthetic pathway and supported by the refinement of the Flack parameter. Inter-molecular O-H⋯O and N-H⋯O hydrogen bonds build up a three-dimensionnal network.

摘要

标题化合物C(9)H(11)N(2)O(+)·H(2)PO(4) (-)的不对称单元由一个2-(1-羟乙基)苯并咪唑阳离子和一个磷酸二氢根阴离子组成,它们通过N-H⋯O氢键相连。阳离子大致呈平面状,环之间的二面角仅为1.4 (2)°。S构型由合成途径推导得出,并通过Flack参数的精修得到支持。分子间的O-H⋯O和N-H⋯O氢键形成了一个三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44e5/2977472/e573b2f2973c/e-65-o2032-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44e5/2977472/007dede07dd3/e-65-o2032-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44e5/2977472/e573b2f2973c/e-65-o2032-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44e5/2977472/007dede07dd3/e-65-o2032-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/44e5/2977472/e573b2f2973c/e-65-o2032-fig2.jpg

相似文献

1
(S)-2-(1-Hydroxy-ethyl)benzimid-azolium dihydrogen phosphate.(S)-2-(1-羟乙基)苯并咪唑磷酸二氢盐
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 29;65(Pt 8):o2032. doi: 10.1107/S1600536809028451.
2
Lamotriginium dihydrogen phosphate-4-(dimethyl-amino)-benzaldehyde (1/1).磷酸拉莫三嗪-4-(二甲基氨基)-苯甲醛(1/1)
Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 15;66(Pt 10):o2558. doi: 10.1107/S1600536810034884.
3
2-Amino-1,3-benzothia-zol-3-ium dihydrogen phosphate.2-氨基-1,3-苯并噻唑-3-鎓磷酸二氢盐
Acta Crystallogr Sect E Struct Rep Online. 2010 Jul 7;66(Pt 8):o1929. doi: 10.1107/S1600536810025547.
4
4-Cyano-pyridinium dihydrogen phosphate-isonicotinonitrile-phospho-ric acid (1/1/1).4-氰基吡啶二氢磷酸盐-异烟腈-磷酸(1/1/1)
Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1693-4. doi: 10.1107/S1600536812020430. Epub 2012 May 12.
5
2-(Methoxy-carbon-yl)anilinium dihydrogen phosphate.2 -(甲氧基羰基)苯胺磷酸二氢盐
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 4;65(Pt 8):o1786. doi: 10.1107/S1600536809025252.
6
4-Phenyl-piperazin-1-ium dihydrogen phosphate.4-苯基哌嗪-1-鎓磷酸二氢盐
Acta Crystallogr Sect E Struct Rep Online. 2010 Aug 11;66(Pt 9):o2244-5. doi: 10.1107/S1600536810030813.
7
2-Ureido-1,3-thia-zol-3-ium dihydrogen phosphate.2-脲基-1,3-噻唑-3-鎓磷酸二氢盐
Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):o1607. doi: 10.1107/S1600536811021337. Epub 2011 Jun 11.
8
2-Phenyl-anilinium dihydrogen phosphate.磷酸二氢2-苯基苯胺盐
Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 11;66(Pt 10):o2556. doi: 10.1107/S160053681003535X.
9
2-Amino-3-carb-oxy-pyrazin-1-ium dihydrogen phosphate.
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1409-10. doi: 10.1107/S1600536811017521. Epub 2011 May 14.
10
N-[2-(2-Chloro-phen-yl)-2-hydroxy-ethyl]propan-2-aminium hemioxalate.N-[2-(2-氯苯基)-2-羟乙基]丙烷-2-铵半草酸盐
Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 24;65(Pt 7):o1670. doi: 10.1107/S1600536809022740.

本文引用的文献

1
(±)-1-(1H-Benzimidazol-2-yl)ethanol.(±)-1-(1H-苯并咪唑-2-基)乙醇
Acta Crystallogr Sect E Struct Rep Online. 2008 Jun 7;64(Pt 7):o1223. doi: 10.1107/S1600536808013871.
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
Direct evidence of molecular aggregation and degradation mechanism of organic light-emitting diodes under joule heating: an STM and photoluminescence study.焦耳热作用下有机发光二极管分子聚集与降解机制的直接证据:一项扫描隧道显微镜和光致发光研究
J Phys Chem B. 2005 Feb 10;109(5):1675-82. doi: 10.1021/jp046509o.