Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives.

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2022-08-01 Epub Date: 2022-07-07 DOI:10.1107/S2052520622005972
Dominik Langer, Barbara Wicher, Wioletta Bendzinska-Berus, Barbara Bednarczyk-Cwynar, Ewa Tykarska
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引用次数: 1

Abstract

Synthesis and structural characterization of new esters of oleanolic acid and its 11-oxo derivatives are reported. Compounds crystallize in four isostructural groups, each containing one to four structures. Single-crystal X-ray analysis revealed that molecules belonging to non-isostructural groups self-associate according to two schemes that describe also supramolecular architectures in crystals of glycyrrhetinic acid derivatives. Structural motifs arise as a result of van der Waals forces. Parameters introduced for the analysis of one- and two-dimensional assemblies allow the comparison of motifs in isostructural and non-isostructural crystals, including polymorphs, and a qualitative assessment of differences in molecular self-assembly. One-, two- or three-dimensional similarity has been confirmed by XPac calculations.

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齐墩果酸酯及其11-氧衍生物的同构和非同构晶体研究。
报道了齐墩果酸新酯及其11-氧衍生物的合成和结构表征。化合物结晶成四种同构基团,每一种含有一到四种结构。单晶x射线分析显示,属于非同位结构基团的分子根据两种方案自缔合,这两种方案也描述了甘草次酸衍生物晶体中的超分子结构。结构图案的出现是范德华力的结果。为分析一维和二维组装而引入的参数允许对等结构和非等结构晶体中的基序进行比较,包括多态性,以及对分子自组装差异的定性评估。单、二维或三维的相似性已被XPac计算证实。
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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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