Suppr超能文献

3-氧代乌苏-12-烯-27a,28-二酸(夸弗诺酸)的晶体结构与 Hirshfeld 表面分析

Crystal structure and Hirshfeld surface analysis of 3-oxours-12-ene-27a,28-dioic acid (quafrinoic acid).

作者信息

Bankeu Kezetas Jean Jules, Dietagoum Madjouka Stéphanie, Kumar Rajesh, Ali Muhammad Shaiq, Lenta Njakou Bruno, Yousuf Sammer

机构信息

Department of Chemistry, Faculty of Science, The University of Bamenda, PO Box 39, Bambili, Cameroon.

Department of Chemistry, Faculty of Science, University of Yaoundé I, PO Box 812, Yaoundé, Cameroon.

出版信息

Acta Crystallogr E Crystallogr Commun. 2017 Apr 28;73(Pt 5):763-766. doi: 10.1107/S2056989017006077. eCollection 2017 May 1.

Abstract

The title compound, CHO, is a penta-cyclic triterpene isolated from the Cameroonian medicinal plant and known as quafrinoic acid. The mol-ecule is composed of five fused six-membered rings, four of which adopt a chair conformation and one a half-chair conformation. Intra-molecular C-H⋯O hydrogen-bond inter-actions exist, which generate 6 and 8 rings. In the crystal, mol-ecules are linked by pairs of O-H⋯O hydrogen bonds, linking (8) rings into chains running parallel to the axis; these chains are further connected into layers parallel to the plane by C-H⋯O hydrogen bonds. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (79.4%) and O⋯H (20.4%) inter-actions.

摘要

标题化合物CHO是从喀麦隆药用植物中分离出的一种五环三萜,被称为夸弗罗尼酸。该分子由五个稠合的六元环组成,其中四个呈椅式构象,一个呈半椅式构象。分子内存在C-H⋯O氢键相互作用,形成了6元和8元环。在晶体中,分子通过O-H⋯O氢键对相连,将(8)元环连接成平行于 轴的链;这些链通过C-H⋯O氢键进一步连接成平行于 平面的层。晶体结构的 Hirshfeld 表面分析表明,晶体堆积中最重要的贡献来自H⋯H(79.4%)和O⋯H(20.4%)相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d7f1/5418801/f6ebeb331df7/e-73-00763-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