IUCrData (Mar 2025)

2-Oxo-2H-chromen-7-yl tert-butylacetate

  • Hypolite Bazié,
  • Eric Ziki,
  • Sorgho Brahima,
  • Veroarisinima Ratsimbazafy,
  • Patrick Roge,
  • Emmanuel Wenger,
  • Abdoulaye Djandé,
  • Claude Lecomte

DOI
https://doi.org/10.1107/s2414314625001890
Journal volume & issue
Vol. 10, no. 3
p. x250189

Abstract

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In the title compound, C15H16O4, the dihedral angle between the 2H-chromen-2-one ring system and the tert-butylacetate moiety is 72.72 (9)°. In the crystal, the molecules are connected through C—H...O hydrogen bonds, generating C(6) chains and R22(20) loops that are reinforced by weak aromatic π–π stacking interactions. The H...H, H...O/O...H, H...C/C...H and C...C contacts contribute 50.6, 29.1, 8.5 and 6.8%, respectively, to the Hirshfeld surface.

Keywords