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-dimensional network. A quantum chemical calculation is in good agreement with the observed structure.
Document Type: Research Article
Affiliations: 1: Laboratoire de Cristallographie et Physique Moléculaire, UFR SSMT, Université Félix Houphouët Boigny de Cocody 22 BP 582 Abidjan 22, Côte d'Ivoire 2: Laboratoire de Chimie Moléculaire et Matériaux, Equipe de Chimie Organique et Phytochimie, Université Ouaga I Pr Joseph KI-ZERBO 03 BP 7021 Ouagadougou 03, Burkina Faso
Publication date: 01 January 2016
- Access Key
- Free content
- Partial Free content
- New content
- Open access content
- Partial Open access content
- Subscribed content
- Partial Subscribed content
- Free trial content