title: (S)-(+)-N-Benzyl-idene-1-(1-naphth-yl)ethyl-amine.
abstract: In the title chiral aldimine, C(19)H(17)N, the azomethine group is not fully conjugated with the phenyl substituent: the dihedral angle between phenyl and C(*)-N=C mean planes is ϕ(3) = 23.0 (2)°. Compared with the earlier DFT-B3LYP/6-31 G(d) computations from the literature, the C=N-C(*)-C(naph-thyl) torsion angle, found at ϕ(2) = -118.0 (2)° in the X-ray structure, does not match the angle calculated for the potential minimum energy at ϕ(2) = 0°. However, this angle is close to the second potential energy minimum at ϕ(2) = -120° which is ca. 8.5 kJ mol(-1) above the global energy minimum. Thus, the reported X-ray structure corresponds to the second most likely (according to DFT) conformer, allowing the existence of other polymorphs to be anti-cipated.
authors.forename: Sylvain
authors.initials: S
authors.lastname: Bernès
authors.forename: Guadalupe
authors.initials: G
authors.lastname: Hernández
authors.forename: Jaime
authors.initials: J
authors.lastname: Vázquez
authors.forename: Alejandra
authors.initials: A
authors.lastname: Tovar
authors.forename: René
authors.initials: R
authors.lastname: Gutiérrez