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首页> 外文期刊>Journal of Molecular Structure >Stereoselective synthesis, structure and DFT studies on fluoro- and nitro- substituted spirooxindole-pyrrolidine heterocyclic hybrids
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Stereoselective synthesis, structure and DFT studies on fluoro- and nitro- substituted spirooxindole-pyrrolidine heterocyclic hybrids

机译:氟 - 和硝基取代螺氧吲哚 - 吡咯烷杂交物的立体选择性合成,结构和DFT研究

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摘要

Structurally diverse highly functionalized flouro-and nitro -substituted spirooxindole-pyrrolidine heterocyclic hybrids have been achieved in good yields. The molecular structure of these diverse spiroheterocyclic hybrids was elucidated by spectroscopic analysis and further confirmed by single crystal X-ray crystallographic studies and density functional theory (DFT) calculations. Analysis of molecular packing for these hybrids was performed using Hirshfeld analysis. Geometric parameters calculated by DFT are in good agreement with the experimental data obtained from X-ray crystallography.
机译:结构多样的高度功能化的氟代和硝基取代的螺环辛醇-吡咯烷杂环杂环化合物已经以良好的产率实现。光谱分析阐明了这些不同螺旋异环杂化物的分子结构,单晶X射线晶体学研究和密度泛函理论(DFT)计算进一步证实了这些杂化物的分子结构。使用Hirshfeld分析对这些杂交种的分子堆积进行了分析。用密度泛函理论计算的几何参数与X射线晶体学实验数据吻合较好。

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