基于4-氨基噻吩和5-甲基氧基-和5-冰片氧基-2(5H)-呋喃酮的旋光性砜的晶体结构：立体化学特征

IF 1.4 4区化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR

Journal of Structural Chemistry Pub Date : 2025-03-10 DOI:10.1134/S0022476625020131

D. P. Gerasimova, L. V. Frantsuzova, A. F. Saifina, A. M. Khabibrakhmanova, A. M. Khabibullina, E. S. Rabbanieva, A. R. Kurbangalieva, O. A. Lodochnikova

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引用次数: 0

摘要

合成了以2(5H)-呋喃酮、4-氨基硫酚和l-薄荷醇和l-冰片醇为基础的新型光学活性硫醚和砜。采用单晶x射线衍射（XRD）研究了呋喃酮系列两种旋光性磺酰衍生物的晶体结构。在这两种晶体中，化合物都是由在构象和氢键系统上具有自由基差异的独立分子A和B呈现的。利用Hirshfeld表面分析的单晶XRD数据证明了该方法的有效性，该方法包括对晶体中分子的所有立体化学特征进行详细检查。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Crystal Structure of Optically Active Sulfones Based on 4-Aminothiophenol and 5-Menthyloxy- and 5-Bornyloxy-2(5H)-Furanones: Stereochemical Features

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Crystal Structure of Optically Active Sulfones Based on 4-Aminothiophenol and 5-Menthyloxy- and 5-Bornyloxy-2(5H)-Furanones: Stereochemical Features

Novel optically active thioethers and sulfones based on 2(5H)-furanone, 4-aminothiophenol, and two monoterpene alcohols l-menthol and l-borneol are synthesized. The crystal structures of two optically active sulfonyl derivatives of the furanone series are studied by single crystal X-ray diffraction (XRD). In both crystals, the compound is presented by independent molecules A and B having radical differences in conformations and hydrogen bond systems. The efficiency of the approach involving a detailed examination of all stereochemical features of a molecule in a crystal is demonstrated based on single crystal XRD data with the use of the Hirshfeld surface analysis.

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来源期刊

Journal of Structural Chemistry 化学-无机化学与核化学

CiteScore

1.60

自引率

12.50%

发文量

142

审稿时长

8.3 months

期刊介绍： Journal is an interdisciplinary publication covering all aspects of structural chemistry, including the theory of molecular structure and chemical bond; the use of physical methods to study the electronic and spatial structure of chemical species; structural features of liquids, solutions, surfaces, supramolecular systems, nano- and solid materials; and the crystal structure of solids.