Crystal structure and computational studies of N-((2-ethoxynaphthalen-1-yl)methylene)-4-fluoroaniline

The Schiff base compound, N-((2-ethoxynaphthalen-1-yl)methylene)-4-fluoroaniline, has been synthesized and characterized by X-ray diffraction method. title C19H16FNO, crystallizes in triclinic, space group P-1 (no. 2), a = 10.6343(9) Å, b 11.4720(10) c 13.8297(13) α 102.466(7)°, β 104.763(7)°, γ 98.972(7)°, V 1552.7(2) Å3, Z 4, T 293(2) K, μ(MoKα) 0.086 mm-1, Dcalc 1.255 g/cm3, 24355 reflections measured (3.16° ≤ 2Θ 51°), 5779 unique (Rint 0.0794, Rsigma 0.0696) which were used all calculations. final R1 was 0.0373 (I > 2σ(I)) wR2 0.0763 (all data). compound contains two molecules with similar structure the asymmetric unit cell. packing of crystal is determined weak C–H···F C-H···N intermolecular hydrogen bonds. contributions these interactions calculated Hirshfeld surfaces examined within structure. existence, nature percentage contribution different H···H, C···H, N···H, F···H using surface analysis fingerprint plots.