Crystal structure of 2-oxo-2H-chromen-3-yl propanoate

被引：3
|
作者：
Ziki, Eric [1 ]
Yoda, Jules [2 ]
Djande, Abdoulaye [2 ]
Saba, Adama [2 ]
Kakou-Yao, Rita [1 ]
机构：
[1] Univ Felix Houphouet Boigny, UFR SSMT, Lab Cristallog & Phys Mol, Cocody 22 BP 582, Abidjan 22, Cote Ivoire
[2] Univ Ouaga I Pr Joseph KI ZERBO, Lab Chim Mol & Mat, Equipe Chim Organ & Phytochim, 03 BP 7021, Ouagadougou 03, Burkina Faso
来源：
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2016年 / 72卷
关键词：
crystal structure; pi-pi interactions; C-H center dot center dot center dot pi interactions; chromane; quantum chemical calculations;
D O I：
10.1107/S2056989016015279
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
In the title compound, C12H10O4, the dihedral angle between the coumarin ring system [maximum deviation = 0.033 (8) angstrom] and the propionate side chain is 78.48 (8)degrees. In the crystal, weak C-H center dot center dot center dot O hydrogen bonds generate inversion dimers and and C-H center dot center dot center dot pi and pi-pi interactions link the dimers into a three-dimensional network. A quantum chemical calculation is in good agreement with the observed structure.
引用
收藏
页码：1562 / +
页数：7
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