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

Abstract

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°.

Thienoacene dimers based on the thieno[3,2-b]thiophene moiety: synthesis, characterization and electronic properties

“…This is oen found in other structures containing biphenyl motifs and it is also close to the calculated value of twist angle for biphenyl in the gas phase. 21 The crystal structure of 1a and 4a can be best described as a "layer by layer" organization with the molecules in each layer packed in a herringbone motif. The herringbone packing has been reported for several other BTBT derivatives like 2, 3, and 9.…”