Suppr超能文献

5,11,17,23-四叔丁基-25,26,27,28-四甲氧基杯[4]芳烃二氯甲烷半溶剂化物

5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetra-methoxy-calix[4]arene dichloro-methane hemisolvate.

作者信息

Fischer Conrad, Gruber Tobias, Seichter Wilhelm, Schindler Diana, Weber Edwin

机构信息

Institut für Organische Chemie, TU Bergakademie Freiberg, Leipziger Strasse 29, D-09596 Freiberg/Sachsen, Germany.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Mar 5;64(Pt 4):o673. doi: 10.1107/S1600536808002304.

Abstract

In the title compound, C(48)H(64)O(4)·0.5CH(2)Cl(2), both crystallographically independent calixarene mol-ecules display a partial cone conformation. Their crystal packing is stabilized by C-H⋯π contacts involving the meth-oxy groups. The solvent mol-ecule is located inter-stitially between two calixarene units with C-H⋯Cl contacts to meth-oxy and tert-butyl groups. One tert-butyl residue of each calixarene mol-ecule is disordered over two positions (occupancies 0.60/0.40 and 0.63/0.37), resulting in bond distances that deviate from ideal values. The tetra-mer calixarene mol-ecules present models with approximate non-crystallographic C(s) symmetry.

摘要

在标题化合物C(48)H(64)O(4)·0.5CH(2)Cl(2)中,两个晶体学独立的杯芳烃分子均呈现部分锥型构象。它们的晶体堆积通过涉及甲氧基的C-H⋯π接触得以稳定。溶剂分子位于两个杯芳烃单元之间的间隙位置,与甲氧基和叔丁基存在C-H⋯Cl接触。每个杯芳烃分子的一个叔丁基残基在两个位置上无序分布(占有率分别为0.60/0.40和0.63/0.37),导致键长偏离理想值。四聚体杯芳烃分子呈现出近似非晶体学C(s)对称性的模型。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9131/2960888/e12b40f1c044/e-64-0o673-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