Suppr超能文献

N-丁氧羰基-5-氧代-L-脯氨酸乙酯

N-But-oxy-carbonyl-5-oxo-l-proline ethyl ester.

作者信息

Rajalakshmi P, Srinivasan N, Krishnakumar R V, Razak Ibrahim Abdul, Rosli Mohd Mustaqim

机构信息

Department of Physics, Thiagarajar College, Madurai 625 009, India.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 23;69(Pt 4):o567-8. doi: 10.1107/S1600536813007265. Print 2013 Apr 1.

Abstract

The mol-ecular structure of the title compound, C12H19NO5, may be visualized as made up of two nearly perpendicular planes [dihedral angle = 87.39 (12)°] and its crystal structure is a good example of C-H⋯O inter-actions assuming significance in optimizing supra-molecular aggregation in crystals in a mol-ecule which is severely imbalanced in terms of donors to acceptor atoms. The pyrrolidine ring adopts a ((3) T 2) twist conformation with puckering parameters Q = 0.2630 (4) Å and ϕ = 59 (9)°. The crystal structure features R 2 (4)(10) and R 3 (4)(26) ring motifs formed by four weak C-H⋯O inter-actions, leading to supra-molecular sheets lying parallel to the bc plane.

摘要

标题化合物C₁₂H₁₉NO₅的分子结构可视为由两个近乎垂直的平面组成[二面角 = 87.39 (12)°],其晶体结构是C-H⋯O相互作用在优化晶体中超分子聚集方面具有重要意义的一个很好的例子,该分子在供体与受体原子方面严重失衡。吡咯烷环采取((3) T 2)扭曲构象,褶皱参数Q = 0.2630 (4) Å,ϕ = 59 (9)°。晶体结构具有由四个弱C-H⋯O相互作用形成的R 2 (4)(10)和R 3 (4)(26)环 motif,导致超分子片层平行于bc平面。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7c59/3629616/d2593137e4b5/e-69-0o567-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