• 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-氨基-5-[(E)-(1-甲基-1H-吡咯-2-基)亚甲基氨基]噻吩-3,4-二羧酸二乙酯

Diethyl 2-amino-5-[(E)-(1-methyl-1H-pyrrol-2-yl)methylideneamino]thiophene-3,4-dicarboxylate.

作者信息

Dufresne Stéphane, Skene W G

机构信息

Department of Chemistry, University of Montreal, CP 6128, Succ. Centre-ville, Montréal, Québec, H3C 3J7, Canada.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 20;66(Pt 12):o3221. doi: 10.1107/S1600536810046775.

DOI:10.1107/S1600536810046775
PMID:21589512
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3011617/
Abstract

The structure of the title compound, C(16)H(19)N(3)O(4)S, shows the planes described by the thio-phene and the pyrroles are twisted by 17.06 (4)°. Additionally, the structure shows the azomethine bond adopts the E configuration, while the pyrrole is disordered as a heterocycle flip [occupancy ratio 0.729 (5):0.271 (5)]. The three-dimensional network is well packed and involves N-H⋯O hydrogen bonding and π-π stacking [centroid-centroid distance = 4.294 (8) Å].

摘要

标题化合物C(16)H(19)N(3)O(4)S的结构表明，噻吩和吡咯所描述的平面扭曲了17.06 (4)°。此外，该结构表明亚甲胺键采用E构型，而吡咯作为杂环翻转存在无序性[占有率为0.729 (5):0.271 (5)]。三维网络堆积良好，涉及N-H⋯O氢键和π-π堆积[质心-质心距离 = 4.294 (8) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/818a/3011617/c9f8b7445ad8/e-66-o3221-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/818a/3011617/2282156b8021/e-66-o3221-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/818a/3011617/f8d1d55bd132/e-66-o3221-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/818a/3011617/c9f8b7445ad8/e-66-o3221-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/818a/3011617/2282156b8021/e-66-o3221-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/818a/3011617/f8d1d55bd132/e-66-o3221-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/818a/3011617/c9f8b7445ad8/e-66-o3221-fig3.jpg

相似文献

1
Diethyl 2-amino-5-[(E)-(1-methyl-1H-pyrrol-2-yl)methylideneamino]thiophene-3,4-dicarboxylate.2-氨基-5-[(E)-(1-甲基-1H-吡咯-2-基)亚甲基氨基]噻吩-3,4-二羧酸二乙酯
Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 20;66(Pt 12):o3221. doi: 10.1107/S1600536810046775.
2
Diethyl 2,5-bis-[(1E)-(1H-pyrrol-2-yl-methyl-idene)amino]-thio-phene-3,4-dicarboxyl-ate.2,5-双-[(1E)-(1H-吡咯-2-基亚甲基)氨基]噻吩-3,4-二羧酸二乙酯
Acta Crystallogr Sect E Struct Rep Online. 2011 Sep 1;67(Pt 9):o2302. doi: 10.1107/S1600536811031576. Epub 2011 Aug 11.
3
Diethyl 2-amino-5-[(E)-(furan-2-yl-methyl-idene)amino]-thio-phene-3,4-di-carboxyl-ate.2-氨基-5-[(E)-(呋喃-2-基亚甲基)氨基]噻吩-3,4-二羧酸二乙酯
Acta Crystallogr Sect E Struct Rep Online. 2010 Oct 31;66(Pt 11):o3027. doi: 10.1107/S1600536810043746.
4
Diethyl 2-[(1-methyl-1H-pyrrol-2-yl)methyl-ene-amino]-5-(2-thienylmethyl-ene-amino)thio-phene-3,4-dicarboxyl-ate.2-[(1-甲基-1H-吡咯-2-基)亚甲基氨基]-5-(2-噻吩基亚甲基氨基)噻吩-3,4-二甲酸二乙酯
Acta Crystallogr Sect E Struct Rep Online. 2008 Apr 2;64(Pt 5):o782. doi: 10.1107/S160053680800799X.
5
Diethyl 2,5-bis-[(2,3-dihydro-thieno[3,4-b][1,4]dioxin-5-yl)methyl-idene-amino]-thio-phene-3,4-dicarboxyl-ate acetone monosolvate.2,5-双-[(2,3-二氢-噻吩并[3,4-b][1,4]二氧杂环己烯-5-基)亚甲基氨基]-噻吩-3,4-二羧酸二乙酯丙酮单溶剂合物
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3138. doi: 10.1107/S160053681104339X. Epub 2011 Nov 2.
6
(E)-1-(2-Thien-yl)-3-(2,4,5-trimethoxy-phen-yl)prop-2-en-1-one.（E）-1-（2-噻吩基）-3-（2,4,5-三甲氧基苯基）丙-2-烯-1-酮
Acta Crystallogr Sect E Struct Rep Online. 2008 Jul 16;64(Pt 8):o1510-1. doi: 10.1107/S1600536808021375.
7
Crystal structure of 2-{[(5-nitro-thio-phen-2-yl)methyl-idene]amino}-phenol.2-{[(5-硝基-噻吩-2-基)亚甲基]氨基}-苯酚的晶体结构
Acta Crystallogr E Crystallogr Commun. 2015 May 23;71(Pt 6):o418. doi: 10.1107/S2056989015009202. eCollection 2015 Jun 1.
8
Crystal structures of two new carbazole derivatives: 12-(4-nitro-phen-yl)-7-phenyl-sulfonyl-7-benzofuro[2,3-]carbazole and 2-methyl-4-(4-nitro-phen-yl)-9-phenyl-sulfonyl-9-thieno[2,3-]carbazole.两种新型咔唑衍生物的晶体结构：12-(4-硝基苯基)-7-苯基磺酰基-7-苯并呋喃并[2,3-]咔唑和2-甲基-4-(4-硝基苯基)-9-苯基磺酰基-9-噻吩并[2,3-]咔唑。
Acta Crystallogr E Crystallogr Commun. 2016 Nov 4;72(Pt 12):1739-1743. doi: 10.1107/S2056989016016996. eCollection 2016 Dec 1.
9
N-[(4-Amino-5-sulfanyl-idene-4,5-dihydro-1H-1,2,4-triazol-3-yl)meth-yl]-4-methyl-benzamide.N-[(4-氨基-5-硫代亚基-4,5-二氢-1H-1,2,4-三唑-3-基)甲基]-4-甲基苯甲酰胺
Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 4;66(Pt 10):o2501-2. doi: 10.1107/S1600536810035014.
10
5-Diethyl-amino-2-{[2-(2,4-dinitro-phen-yl)hydrazin-1-yl-idene]meth-yl}phenol.5-二乙氨基-2-{[2-(2,4-二硝基苯基)肼-1-亚基]甲基}苯酚
Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 10;66(Pt 12):o3108. doi: 10.1107/S1600536810044983.

引用本文的文献

1
Ethyl 2-amino-4-methyl-thio-phene-3-carboxyl-ate.2-氨基-4-甲基硫代噻吩-3-羧酸乙酯
IUCrdata. 2021 Apr 9;6(Pt 4):x210351. doi: 10.1107/S2414314621003515. eCollection 2021 Apr.
2
Crystal structure of diethyl 2-amino-5-{4-[bis-(4-methyl-phen-yl)amino]-benzamido}-thio-phene-3,4-di-carboxyl-ate.
Acta Crystallogr E Crystallogr Commun. 2019 Apr 9;75(Pt 5):589-592. doi: 10.1107/S2056989019003864. eCollection 2019 May 1.
3
Diethyl 2,5-bis-[(1E)-(1H-pyrrol-2-yl-methyl-idene)amino]-thio-phene-3,4-dicarboxyl-ate.2,5-双-[(1E)-(1H-吡咯-2-基亚甲基)氨基]噻吩-3,4-二羧酸二乙酯

本文引用的文献

1
Diethyl 2-amino-5-[(E)-(furan-2-yl-methyl-idene)amino]-thio-phene-3,4-di-carboxyl-ate.2-氨基-5-[(E)-(呋喃-2-基亚甲基)氨基]噻吩-3,4-二羧酸二乙酯
Acta Crystallogr Sect E Struct Rep Online. 2010 Oct 31;66(Pt 11):o3027. doi: 10.1107/S1600536810043746.
2
Unsymmetric pyrrole, thiophene, and furan-conjugated comonomers prepared using azomethine connections: potential new monomers for alternating homocoupled products.使用甲亚胺连接制备的不对称吡咯、噻吩和呋喃共轭共聚单体：交替均偶联产物的潜在新型单体。
J Org Chem. 2008 May 16;73(10):3859-66. doi: 10.1021/jo8002503. Epub 2008 Apr 15.
3
A short history of SHELX.
Acta Crystallogr Sect E Struct Rep Online. 2011 Sep 1;67(Pt 9):o2302. doi: 10.1107/S1600536811031576. Epub 2011 Aug 11.
SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.