Acta Crystallographica Section E (Mar 2012)

2-(Biphenyl-4-yl)propan-2-ol

  • David C. Liles,
  • Eric Modau,
  • Petrus H. van Rooyen

DOI
https://doi.org/10.1107/S1600536812003716
Journal volume & issue
Vol. 68, no. 3
pp. o580 – o580

Abstract

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The title compound, C15H16O, crystallizes with two independent molecules in the asymmetric unit. Due to the space-group symmetry, this results in the formation of a tetramer where the four molecules are connected by O—H...O hydrogen bonds. The molecules pack parallel to the c axis. Both molecules in the asymmetric unit are nonplanar and the dihedral angles between connected aromatic rings in each molecule are 7.96 (12) and 9.75 (13)°. This contrasts with the gas phase density functional theory (DFT) optimized conformation, where this dihedral angle is 39.33°.