ANUVAD Crystal structure
收藏科学数据银行2022-03-04 更新2026-04-23 收录
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More record breakers for the anomeric effect involving C-N bonds. Another entry is ANUVUD[3] with a crystal structure (data DOI: 10.5517/ccdc.csd.cc24zxdg) shown below and CN and CO lengths of 1.391 and 1.559Å, which in this case ARE reasonably replicated by calculation (1.402, 1.499). This effect is promoted by the good leaving group ability of the carboxylate anion and the antiperiplanar orientation of the nitrogen lone pair with respect to the C-O bond, E(2)=35.2 kcal/mol (DOI: 10.14469/hpc/8807)
提供机构：
Imperial College London
创建时间：
2022-02-15
