2-Oxo-2 <i>H</i> -chromen-7-yl pentanoate
In the title compound, C<sub>14</sub>H<sub>14</sub>O<sub>4</sub>, the dihedral angle between the coumarin nucleus and the penta-noate moiety is 62.20 (7)°. The coumarin moiety is planar as usual, with a maximum deviation from the least-squares plane of 0.081 (2) Å. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds into centrosymmetric dimers with an <i>R</i> <sub>2</sub> <sup>2</sup>(8) graph-set motif, and the cohesion of the crystal is also supported by π-π inter-actions with a centroid-centroid distance of 3.9342 (8) Å. A Hirshfeld surface analysis revealed that 44.6% of the inter-molecular inter-actions are from H⋯H contacts, 28.2% are from ⋯O/O⋯H contacts and 16.3% are from H⋯C/C⋯H.
Authors
- Abdoulaye Djandé
- C. Lecomte
- Aka Joseph N’gouan (ORCID: https://orcid.org/0000-0003-2084-0798)
- Severin D. Goulizan Bi
- R. Kakou-Yao
- Hypolite Bazié (ORCID: https://orcid.org/0009-0008-6132-4398)
Institutions
- Centre National de la Recherche Scientifique (FR)
- Université Joseph Ki-Zerbo (BF)
- Laboratoire de Cristallographie, Résonance Magnétique et Modélisations (FR)
- Université Félix Houphouët-Boigny (CI)
- Université de Lorraine (FR)
Publication Details
- Journal
- IUCrData
- Published
- 2025-10-24
- DOI
- https://doi.org/10.1107/s241431462500937x
- Primary Topic
- Crystal structures of chemical compounds
- Type
- article
- Field-Weighted Citation Impact
- 0.00