Conformational effects of 1,5,9-substitution in symmetric bicyclo[3.3.1]nonane analogues

被引：2
|
作者：
Pisarev, Sergey A. [1 ]
Palyulin, Vladimir A. [1 ]
机构：
[1] Moscow MV Lomonosov State Univ, Dept Chem, Moscow 119991, Russia
来源：
MENDELEEV COMMUNICATIONS | 2021年 / 31卷 / 05期
关键词：
conformational behaviour; bicyclo[3; 3; 1]nonanes; conformational effects; HOMODESMOTIC REACTIONS; X-RAY; DIFFRACTION;
D O I：
10.1016/j.mencom.2021.09.007
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The high-level ab initio calculations on several derivatives of bicyclo[3.3.1]nonane, 1-aza-and 1,5-diazabicyclo[3.3.1]-nonanes show the 'double chair' (CC) conformer as optimal for all of them, dominating over the 'boat-chair' (BC) form. Conformational effects of several substitution types involving positions 1, 5 and 9 are quantified, and their values are found rather transferable.
引用
收藏
页码：612 / 614
页数：3
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