Suppr超能文献

1-甲基-1'-(4-甲基苯基)-2',3',5',6',7',7a'-六氢-1'H-二螺[哌啶-3,2'-吡咯嗪-3',3''-吲哚啉]-4,2''-二酮

1-Methyl-1'-(4-methyl-phen-yl)-2',3',5',6',7',7a'-hexa-hydro-1'H-dispiro-[piperidine-3,2'-pyrrolizine-3',3''-indoline]-4,2''-dione.

作者信息

Ramaswamy S, Sribala R, Srinivasan N, Krishnakumar R V, Kumar R Ranjith

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2772-3. doi: 10.1107/S1600536812036240. Epub 2012 Aug 25.

Abstract

The title compound, C(26)H(29)N(3)O(2), crystallizes with two mol-ecules in the asymmetric unit, having C-H⋯O inter-actions between them and resulting in a dimer characterized by an R(2) (2)(11) motif. These dimers are linked into an ABABAB chain via N-H⋯O, N-H⋯N and C-H⋯O built edge-fused R(1) (2)(5) and R(2) (2)(7) motifs. This chain is linked to its inversion-related partner via N-H⋯O bonds with an R(2) (2)(8) motif and leads to a double chain extending along the b axis characterized by an R(6) (6)(36) motif across the inversion centres. The methyl group of the phenyl ring and the oxindole of mol-ecule A and B are involved in C-H⋯π inter-actions. One C atom of the pyrrolizine ring of mol-ecule A and its attached H atoms show positional disorder, the major and minor components being in the ratio 0.706 (7):0.294 (7).

摘要

标题化合物C(26)H(29)N(3)O(2)在不对称单元中以两个分子结晶,它们之间存在C-H⋯O相互作用,形成了一个以R(2) (2)(11)基序为特征的二聚体。这些二聚体通过N-H⋯O、N-H⋯N和C-H⋯O形成的边缘稠合R(1) (2)(5)和R(2) (2)(7)基序连接成ABABAB链。该链通过具有R(2) (2)(8)基序的N-H⋯O键与其反演相关的伙伴相连,形成沿b轴延伸的双链,其特征是通过反演中心的R(6) (6)(36)基序。分子A和B的苯环甲基和羟吲哚参与C-H⋯π相互作用。分子A的吡咯嗪环的一个C原子及其连接的H原子表现出位置无序,主要和次要组分的比例为0.706 (7):0.294 (7)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cd4a/3435806/4a30b78a37a6/e-68-o2772-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