Crystal structure of 3-oxo-2-(4-hydroxybenzylidene)-butyric acid ethyl ester

被引：0
|
作者：
Stanchev, S. [1 ]
Nikolova, R. P. [2 ]
Shivachev, B. L. [2 ]
Manolov, I. [1 ]
机构：
[1] Med Univ Sofia, Fac Pharm, Dept Pharmaceut Chem, BG-1000 Sofia, Bulgaria
[2] Bulgarian Acad Sci, Inst Mineral & Crystallog, BU-1113 Sofia, Bulgaria
来源：
BULGARIAN CHEMICAL COMMUNICATIONS | 2011年 / 43卷 / 02期
关键词：
3-oxo-2-(4-hydroxybenzylidene)-butyric acid ethyl ester; crystal structure; 4-HYDROXYCOUMARIN DERIVATIVES;
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
3-Oxo-2-(4-hydroxybenzylidene)-butyric acid ethyl ester (compound I), was synthesized and its structure was investigated by X-ray crystallography, IR, H-1-NMR and mass-spectroscopic analyses. The title compound, C13H14O4, crystallizes in the triclinic crystal system in the space group (P) over bar1 with cell parameters: a = 8.7340(14) angstrom, b = 9.1602(13) angstrom, c = 9.1640(30) angstrom, alpha = 114.964(15)degrees, beta = 100.197(18)degrees, gamma = 108.173(11)degrees, and V = 589.5(3) angstrom(3) (Z = 2). The molecules are hydrogen-bonded to chains, running parallel to [110]. Additional short contacts stabilize the three dimensional packing in the structure.
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页码：316 / 319
页数：4
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