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

被引：6
|
作者：
Yavari, I. [1 ]
Djahaniani, H. [1 ]
Nasiri, F. [1 ]
机构：
[1] Tarbiat Modares Univ, Dept Chem, Tehran, Iran
来源：
JOURNAL OF THE IRANIAN CHEMICAL SOCIETY | 2006年 / 3卷 / 01期
关键词：
coumarin; X-ray structure; single crystal; hydrogen bond;
D O I：
10.1007/BF03245788
中图分类号：
O6 [化学];
学科分类号：
0703 ;
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) angstrom, b = 9.3022(16) angstrom, c = 12.421(2) angstrom, beta = 97.107(5)degrees, V = 610.71(17) angstrom(3), D-calc = 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 center dot center dot center dot H with their carbonyl group and the hydrogen on C(3).
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收藏
页码：46 / 50
页数：5
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