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

Ziki E.; Yoda J.; Djand#233; A.; Saba A.; Kakou-Yao R.

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

机译：2-氧代-2H-铬-3-基丙酸酯的晶体结构

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In the title compound, C12H10O4, the dihedral angle between the coumarin ring system [maximum deviation = 0.033 (8) Å] and the propionate side chain is 78.48 (8)°. In the crystal, weak C—H⋯O hydrogen bonds generate inversion dimers and and C—H⋯π and π–π interactions link the dimers into a three-dimensional network. A quantum chemical calculation is in good agreement with the observed structure.

机译：在标题化合物C12H10O4中，香豆素环系统[最大偏差= 0.033（8）Å]与丙酸酯侧链之间的二面角为78.48（8）°。在晶体中，弱的CHHO氢键生成反转二聚体，并且CHHπ和π-π相互作用将二聚体连接成三维网络。量子化学计算与观察到的结构非常吻合。

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《Acta Crystallographica Section E: Crystallographic Communications》 |2016年第11期|共3页
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Ziki E.; Yoda J.; Djand#233; A.; Saba A.; Kakou-Yao R.;
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中图分类晶体学;
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CRYSTAL STRUCTUREPI-PI INTERACTIONSC-H...PI INTERACTIONSCHROMANEQUANTUM-CHEMICAL CALCULATIONS;

机译：晶体结构[PI]-[PI]相互作用SC-H ... [PI]相互作用色散量子化学计算;

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

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