Suppr超能文献

2-(3-硝基苯基)-1,3-二噻烷的晶体结构

Crystal structure of 2-(3-nitro-phen-yl)-1,3-di-thiane.

作者信息

Caracelli Ignez, Zukerman-Schpector Julio, Stefani Hélio A, Gozhina Olga, Tiekink Edward R T

机构信息

Departmento de Física, Universidade Federal de São Carlos, 13565-905 São Carlos, SP, Brazil.

Departmento de Química, Universidade Federal de São Carlos, 13565-905 São Carlos, SP, Brazil.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Feb 13;71(Pt 3):o181-2. doi: 10.1107/S2056989015002844. eCollection 2015 Mar 1.

Abstract

In the title compound, C10H11NO2S2, the 1,3-di-thiane ring has a chair conformation with the 1,4-disposed C atoms being above and below the remaining four atoms. The nitro-benzene substituent occupies an equatorial position and forms a dihedral angle of 88.28 (5)° with the least-squares plane through the 1,3-di-thiane ring. The nitro group is twisted out of the plane of the benzene ring to which it is connected, forming a dihedral angle of 10.12 (3)°. In the crystal, mol-ecules aggregate into supra-molecular zigzag chains (glide symmetry along the c axis) via nitro-benzene N-O⋯π [N-O⋯Cg(benzene) = 3.4279 (18) Å and angle at O = 93.95 (11)°] inter-actions. The chains pack with no specific inter-molecular inter-actions between them.

摘要

在标题化合物C₁₀H₁₁NO₂S₂中,1,3 - 二噻烷环呈椅式构象,1,4 - 位的碳原子位于其余四个原子的上方和下方。硝基苯取代基占据赤道位置,与通过1,3 - 二噻烷环的最小二乘平面形成88.28 (5)°的二面角。硝基扭转出与其相连的苯环平面,形成10.12 (3)°的二面角。在晶体中,分子通过硝基苯N - O⋯π [N - O⋯Cg(苯)= 3.4279 (18) Å,O处角度 = 93.95 (11)°]相互作用聚集形成超分子锯齿链(沿c轴具有滑移对称性)。这些链堆积时它们之间没有特定的分子间相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6472/4350730/e8b9272065ad/e-71-0o181-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