2-tert-butyl-5-methyl-7,8-dihydro-6H-cyclopenta[e]pyrazolo[1,5-a]pyrimidine:: molecular stacks built from C-H•••π(pyrazole) hydrogen bonds and π-π stacking interactions

被引：5
|
作者：
Portilla, Jaime [2 ]
Quiroga, Jairo [2 ]
Cobo, Justo [3 ]
Glidewell, Christopher [1 ]
机构：
[1] Univ St Andrews, Sch Chem, St Andrews KY16 9ST, Fife, Scotland
[2] Univ Valle, Dept Quim, Grp Invest Compuestos Heterocicl, Cali 25360, Colombia
[3] Univ Jaen, Dept Quim Inorgan & Organ, Jaen, Spain
来源：
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY | 2008年 / 64卷
关键词：
D O I：
10.1107/S010827010802266X
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
In the title compound, C14H19N3, the bond distances within the heterocyclic portion of the molecule indicate incomplete pi delocalization. The molecules are linked into stacks by a combination of two C-H center dot center dot center dot pi(pyrazole) hydrogen bonds and two independent pi-pi stacking interactions between inversion-related pyrimidine rings. The significance of this study lies in its observation of significant differences in both molecular conformation and supramolecular aggregation between the title compound, an example of a 2-alkylpyrazolo[1,5-a] pyrimidine, and some analogous 2-arylpyrazolo[1,5-a] pyrimidines.
引用
收藏
页码：O471 / O473
页数：3
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