Structure elucidation and X-ray crystallographic study of 3-(naphth-1-ylmethyl)indole

Synthesis and structure determination of 3-(naphth-1-ylmethyl)indole are reported. The molecular and crystal structures together with the molecular formula were determined by spectral and single crystal X-ray studies. X-ray crystallography revealed the presence of two conformers arising from the flipping of the naphthalene unit. The crystal of the compound belongs to the triclinic crystal system and space group \(P\bar 1\). Crystal data are as follows: a = 10.302(5) Å, b = 12.522(4) Å, c = 13.383(4) Å, α = 111.9(1)°, β = 116.86(6)°, γ = 71.65(5)°; V = 1726.429 ų; Z = 4. The final R and Rw are R = 0.0744 (on observed F′s); R = 0.0924 (all F data), R _w = 0.1757 (observed F ²) and R _w = 0.1834 (all F ² data).