Suppr超能文献

1,3,5-三(环丙基苯甲酰胺)苯的晶体结构

Crystal structure of ,',''-tri-cyclo-prop-ylbenzene-1,3,5-tricarboxamide.

作者信息

Stapf Manuel, Miyyapuram Venugopal Rao, Seichter Wilhelm, Mazik Monika

机构信息

Institut für Organische Chemie, Technische Universität Bergakademie Freiberg, Leipziger Str. 29, 09596 Freiberg/Sachsen, Germany.

Clinical Research Products Management Center (CRPMC) Bioservices Thermo Fisher Scientific, 1055 First Street Rockville/Maryland 20850 USA.

出版信息

Acta Crystallogr E Crystallogr Commun. 2024 Oct 24;80(Pt 11):1194-1197. doi: 10.1107/S2056989024009800. eCollection 2024 Oct 1.

Abstract

The title compound, CHNO, was prepared from 1,3,5-benzene-tricarbonyl trichloride and cyclo-propyl-amine. Its crystal structure was solved in the monoclinic space group 2/. In the crystal, the three amide groups of the mol-ecule are inclined at angles of 26.5 (1), 36.9 (1) and 37.8 (1)° with respect to the plane of the benzene ring. The mol-ecules are linked by N-H⋯O hydrogen bonds, forming two-dimensional supra-molecular aggregates that extend parallel to the crystallographic plane and are further connected by C-H⋯O contacts. As a result of the supra-molecular inter-actions, a propeller-like conformation of the title mol-ecule can be observed.

摘要

标题化合物CHNO由1,3,5-苯三羰基三氯和环丙胺制备而成。其晶体结构在单斜空间群2/中解析。在晶体中,分子的三个酰胺基团相对于苯环平面的倾斜角度分别为26.5 (1)、36.9 (1)和37.8 (1)°。分子通过N-H⋯O氢键相连,形成平行于晶体学平面延伸的二维超分子聚集体,并通过C-H⋯O接触进一步连接。由于超分子相互作用,可以观察到标题分子呈螺旋桨状构象。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7304/11660470/e4622d33db4c/e-80-01194-fig1.jpg

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验