Synthesis, bioactivities, and X-ray structure analysis of 2-cyano-5-methylpyrazolo[1,5-a]pyrimidine

被引：0
|
作者：
Ming Li
Shuwen Wang
Lirong Wen
Xiuli Zhang
Ziqin Ke
机构：
[1] Qingdao University of Science and Technology,College of Chemistry and Molecular Engineering
[2] Ocean University of China,Marine Drug and Food Institute
[3] Xinjiang Normal University,Department of Chemistry
来源：
Journal of Chemical Crystallography | 2005年 / 35卷
关键词：
Pyrazolo[1,5-a]pyrimidine; crystal structure; mechanism; bioactivities;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
The title compound crystallizes in the monoclinic space group P21/c with unit cell parameters a = 3.8380(12), b = 11.994(4), and c = 16.245(5) Å, β = 90.743(5)∘, V = 747.7(4) Å3, and Z = 4. The final reliability index is 0.0409 for 1088 observed reflections. All the non-hydrogen atoms in the title compound are almost coplanar, the largest deviation from the mean plane being 0.030(2) Å for atom C5. The crystal cohesion is accentuated by C–H⋅sN hydrogen bond. The X-ray crystallography analysis indicates that the methyl group is at the 5-position of the compound 4 rather than at the 7-position of the isomer 4-1. The preliminary biological test shows that the title compound has moderate herbicidal activity.
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页码：667 / 671
页数：4
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