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2-Oxo-2H-chromen-7-yl pentanoate

  • IUCrData , 10 (10) : 1-7
Discipline : Chimie
Auteur(s) :
Renseignée par : DJANDE Abdoulaye

Résumé

In the title compound, C14H14O4, the dihedral angle between the coumarin nucleus and the pentanoate 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, molecules are linked by C—H…..O hydrogen bonds into centrosymmetric dimers with an R2 2 (8) graph-set motif, and the cohesion of the crystal is also supported by - interactions with a centroid–centroid distance of 3.9342 (8) Å . A Hirshfeld surface analysis revealed that 44.6% of the intermolecular interactions are from H….H contacts, 28.2% are from …..O/O…..H contacts and 16.3% are from H…..C/C.….H.

Mots-clés

crystal structure, hydrogen bond, coumarins, Hirshfeld surface

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