Crystal Structure and DFT Study of 8-Hydroxy

Abstract

In the title compound, C<inf>13</inf>H<inf>15</inf>NO<inf>2</inf>, the fused non-aromatic rings of the julolidine moiety adopt envelope conformations. The hydroxy group forms an intramolecular hydrogen bond to the aldehyde O atom, generating an S(6) ring motif. Weak intermolecular C - H⋯O hydrogen bonds help to stabilize the crystal structure. Density functional theory (DFT) optimized structures at the B3LYP/6-311G(d,p) level are compared with the experimentally determined molecular structure in the solid state.