The crystal structure of tert-butyl coumarin-3-carboxylate

被引：0
|
作者：
I. Yavari
H. Djahaniani
F. Nasiri
机构：
[1] Tarbiat Modarres University,Department of Chemistry
来源：
Journal of the Iranian Chemical Society | 2006年 / 3卷
关键词：
Coumarin; X-ray structure; Single crystal; Hydrogen bond;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
The crystal structure of tert-butyl coumarin-3-carboxylate has been determined. This compound crystallizes in the triclinic space group P-1 with cell parameters a = 5.8038(9) Å, b = 9.3022(16) Å, c = 12.421(2) Å, β = 97.107(5)°, V = 610.71(17) Å3, Dcalc = 1.339 mg m−3, and Z = 2. The final R value is 0.0593 for 2396 reflections. The adjacent molecules form a cyclic dimer by intermolecular hydrogen bonds of type C=O...H with their carbonyl group and the hydrogen on C(3).
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页码：46 / 50
页数：4
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