Suppr超能文献

3-(4-氯苯基)-5-(4-氟苯基)-4,5-二氢-1H-吡唑-1-碳硫酰胺

3-(4-Chloro-phen-yl)-5-(4-fluoro-phen-yl)-4,5-dihydro-1H-pyrazole-1-carbothio-amide.

作者信息

Abdel-Wahab Bakr F, Mohamed Hanan A, Ng Seik Weng, Tiekink Edward R T

机构信息

Applied Organic Chemistry Department, National Research Centre, Dokki, 12622 Giza, Egypt.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 1;69(Pt 3):o414-5. doi: 10.1107/S1600536813004492. Epub 2013 Feb 20.

Abstract

In the title compound, C16H13ClFN3S, the pyrazole ring adopts an envelope conformation with the methine C atom being the flap atom. The chloro- and fluoro-benzene rings are twisted out of the plane of the pyrazole ring [dihedral angles = 15.12 (11) and 80.55 (10)°, respectively]. The amine group is orientated towards a ring N atom, forming an intra-molecular N-H⋯N hydrogen bond. This H atom also forms a hydrogen bond to the F atom, which along with N-H⋯S hydrogen bonding leads to a supra-molecular chain along the c axis. Connections between chains of the type Cl⋯π lead to a layer in the bc plane.

摘要

在标题化合物C₁₆H₁₃ClFN₃S中,吡唑环呈信封构象,次甲基C原子为折叶原子。氯苯环和氟苯环与吡唑环平面扭转[二面角分别为15.12 (11)°和80.55 (10)°]。胺基朝向环N原子,形成分子内N-H⋯N氢键。该H原子还与F原子形成氢键,这与N-H⋯S氢键一起导致沿c轴形成超分子链。Cl⋯π类型的链间连接在bc平面形成一层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8a8a/3588515/9372c25adb1c/e-69-0o414-fig1.jpg

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