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

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

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-...

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Bibliographic Details
Main Authors: Eric Ziki, Jules Yoda, Abdoulaye Djandé, Adama Saba, Rita Kakou-Yao
Format: Article
Language:English
Published: International Union of Crystallography 2016-11-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
π–π interactions
C—H...π interactions
chromane
quantum-chemical calculations
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989016015279

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http://scripts.iucr.org/cgi-bin/paper?S2056989016015279

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