• 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

1-（噻吩-2-基）乙酮硫代半卡巴腙

1-(Thio-phen-2-yl)ethanone thio-semi-carbazone.

作者信息

Gaye Papa Aly, Sy Adama, Sarr Aminata Diassé, Gaye Mohamed, Besnard Celine

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1168. doi: 10.1107/S1600536811011986. Epub 2011 Apr 16.

DOI:10.1107/S1600536811011986
PMID:21754474
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3089127/
Abstract

The title compound, C(7)H(9)N(3)S(2), crystallizes with two unique mol-ecules in the unit cell, both present as thio-semicarbazide tautomers. The mol-ecules differ principally in the dihedral angles between the thio-phene ring planes and the planes through the non-H atoms of the hydrazinecarbothio-amide units, viz. 9.80 (8)° for one mol-ecule and 19.37 (7)° for the other. The hydrazinecarbothio-amide units are reasonably planar, with r.m.s. deviations of 0.001Å for each of the mol-ecules. In the crystal, N-H⋯S hydrogen bonds link like mol-ecules into R(2) (2)(8) inversion dimers. A three-dimensional network structure is generated by additional N-H⋯S hydrogen bonds and weak C-H⋯S contacts between the unique mol-ecules.

摘要

标题化合物C(7)H(9)N(3)S(2)在晶胞中以两个独特的分子结晶，二者均以硫代氨基脲互变异构体形式存在。分子的主要差异在于噻吩环平面与肼基碳硫酰胺单元中非H原子所在平面之间的二面角，即一个分子为9.80 (8)°，另一个分子为19.37 (7)°。肼基碳硫酰胺单元相当平面，每个分子的均方根偏差为0.001Å。在晶体中，N-H⋯S氢键将同类分子连接成R(2) (2)(8) 反演二聚体。独特分子之间额外的N-H⋯S氢键和弱C-H⋯S接触形成了三维网络结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/326c/3089127/5e60fab441a3/e-67-o1168-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/326c/3089127/8f8754234efe/e-67-o1168-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/326c/3089127/5e60fab441a3/e-67-o1168-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/326c/3089127/8f8754234efe/e-67-o1168-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/326c/3089127/5e60fab441a3/e-67-o1168-fig2.jpg

相似文献

1
1-(Thio-phen-2-yl)ethanone thio-semi-carbazone.1-（噻吩-2-基）乙酮硫代半卡巴腙
Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1168. doi: 10.1107/S1600536811011986. Epub 2011 Apr 16.
2
4-(5-Chloro-2-methyl-phen-yl)-1-[2-oxo-5-(trifluoro-meth-oxy)indolin-3-yl-idene]thio-semicarbazide.4-（5-氯-2-甲基苯基）-1-[2-氧代-5-（三氟甲氧基）吲哚啉-3-亚基]硫代氨基脲
Acta Crystallogr Sect E Struct Rep Online. 2010 Apr 24;66(Pt 5):o1169-70. doi: 10.1107/S1600536810014650.
3
1-Benzothio-phene-2-carbaldehyde 4-ethyl-thio-semicarbazone.1-苯并噻吩-2-甲醛4-乙硫基缩氨基脲
Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 20;65(Pt 1):o180-1. doi: 10.1107/S1600536808042797.
4
Crystal structure of (Z)-2-(1-benzyl-2-oxoindolin-3-yl-idene)-N-phenyl-hydra-zine-1-carbo-thio-amide.（Z）-2-（1-苄基-2-氧代吲哚啉-3-亚基）-N-苯基肼-1-碳硫酰胺的晶体结构
Acta Crystallogr E Crystallogr Commun. 2015 Feb 7;71(Pt 3):o160-1. doi: 10.1107/S2056989015002248. eCollection 2015 Mar 1.
5
(E)-2-[1-(1-Benzothio-phen-3-yl)ethyl-idene]hydrazinecarbothio-amide methanol hemisolvate.（E）-2-[1-（1-苯并噻吩-3-基）亚乙基]肼基甲硫酰胺甲醇半溶剂合物
Acta Crystallogr Sect E Struct Rep Online. 2008 May 10;64(Pt 6):o1022-3. doi: 10.1107/S160053680801297X.
6
1-(2H-1,3-Benzodioxol-5-yl)ethanone thio-semicarbazone.1-（2H-1,3-苯并二氧杂环戊烯-5-基）乙酮硫代半卡巴腙
Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 5;69(Pt 5):o644. doi: 10.1107/S1600536813008398. Print 2013 May 1.
7
(E)-2-[1-(1-Benzothio-phen-2-yl)ethyl-idene]-N-phenyl-hydrazinecarboxamide.（E）-2-[1-（1-苯并噻吩-2-基）亚乙基]-N-苯基肼甲酰胺
Acta Crystallogr Sect E Struct Rep Online. 2011 Oct 1;67(Pt 10):o2687-8. doi: 10.1107/S1600536811037457. Epub 2011 Sep 20.
8
Crystal structures of two hydrazinecarbo-thio-amide derivatives: (E)-N-ethyl-2-[(4-oxo-4H-chromen-3-yl)methyl-idene]hydrazinecarbo-thio-amide hemi-hydrate and (E)-2-[(4-chloro-2H-chromen-3-yl)methyl-idene]-N-phenyl-hydrazinecarbo-thio-amide.两种肼基碳硫酰胺衍生物的晶体结构：（E）-N-乙基-2-[(4-氧代-4H-色烯-3-基)亚甲基]肼基碳硫酰胺半水合物和（E）-2-[(4-氯-2H-色烯-3-基)亚甲基]-N-苯基肼基碳硫酰胺
Acta Crystallogr E Crystallogr Commun. 2015 Feb 21;71(Pt 3):305-8. doi: 10.1107/S2056989015003369. eCollection 2015 Mar 1.
9
1-(2-Furo-yl)-3-(2-meth-oxy-4-nitro-phen-yl)thio-urea.1-（2-呋喃基）-3-（2-甲氧基-4-硝基苯基）硫脲
Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 1;69(Pt 3):o330-1. doi: 10.1107/S1600536813002894. Epub 2013 Feb 2.
10
3-Hydr-oxy-4-methoxy-benzaldehyde thio-semicarbazone hemihydrate.3-羟基-4-甲氧基苯甲醛硫代半卡巴腙半水合物
Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 8;64(Pt 12):o2274-5. doi: 10.1107/S1600536808035617.