Acta Crystallographica Section E (Dec 2010)

8-Benzoyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one monohydrate

  • Xiao-Yun Chen,
  • Shu-Ping Yang,
  • Da-Qi Wang,
  • Li-Jun Han

DOI
https://doi.org/10.1107/S1600536810046350
Journal volume & issue
Vol. 66, no. 12
pp. o3183 – o3183

Abstract

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In the title compound, C17H12O4·H2O, the coumarin ring system is approximately planar with a maximum atomic deviation of 0.011 (2) Å, and is nearly perpendicular to the phenyl ring at a dihedral angle of 86.63 (9)°. In the crystal, molecules are linked by classical O—H...O and weak C—H...O hydrogen bonds. π–π stacking is also present [centroid–centroid distance = 3.6898 (12) Å].