IUCrData (Dec 2016)

4-[(4-Hydroxymethyl-2H-1,2,3-triazol-2-yl)methyl]-6-isopropyl-2H-chromen-2-one

  • Nasseem El-Khatatneh,
  • Chandra,
  • D. Shamala,
  • K. Shivashankar,
  • M. Mahendra

DOI
https://doi.org/10.1107/S2414314616019891
Journal volume & issue
Vol. 1, no. 12
p. x161989

Abstract

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In the title compound, C16H17N3O3, the chromene ring is planar, with a maximum deviation of 0.017 (4) Å for the ring O atom. The triazole and the chromene rings, bridged by a methylene C atom, are inclined to one another by 78.3 (2)°. In the crystal, methylene–triazole C—H...N hydrogen bonds lead to the formation of helical supramolecular chains along the b axis. The sample was refined as an inversion twin. The terminal methylhydroxy group is disordered over two sets of sites [site occupancy = 0.610 (13) for the major component].

Keywords