IUCrData (Aug 2017)

Dimethyl (7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)phosphonate

  • Yunfei Li,
  • Yongmei Xiao,
  • Xinchi Zhang,
  • Liangru Yang,
  • Jinwei Yuan,
  • Pu Mao

DOI
https://doi.org/10.1107/S2414314617011191
Journal volume & issue
Vol. 2, no. 8
p. x171119

Abstract

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In the title compound, C12H13O6P, the coumarin ring system is essentially planar [dihedral angle between the rings = 1.32 (16)°] and the methoxy groups and double-bonded O atom of the phosphonate group are disordered over two sets of sites [occupancy ratio 0.537 (2):0.463 (2)]. In the crystal, C—H...O hydrogen bonds involving the disordered phosphonate O atom as acceptor occur, which generate [100] chains. Weak C—H...O and aromatic π–π stacking interactions [minimum centroid–centroid separation = 3.713 (2) Å] are also observed.

Keywords