Crystal Structure and Theoretical Study of N, N -Bis[(5 D ]Oxazol-3

Abstract

In the molecular structure of the title compound, C<inf>24</inf> H<inf>19</inf> Cl<inf>2</inf> N<inf>3</inf> O<inf>4</inf>, the three C atoms of the central N,N-dimethylmethanamine moiety are bonded to the N atoms of the two 5-chloro-1,3-benzoxazol-2(3H)-one groups and to the methyl C atom of the methylbenzene group. One of the nine-membered 2,3-dihydro-1,3-benzoxazole rings and the phenyl ring are almost parallel to each other, making a dihedral angle of 5.30 (18)°, but they are almost normal to the mean plane of the other nine-membered 2,3-dihydro-1,3-benzoxazole ring, subtending dihedral angles of 89.29 (16) and 85.41 (18)°, respectively. The crystal structure features C - H...O hydrogen bonds and π-π stacking interactions [centroid-to-centroid distances = 3.5788 (19) Å, slippage = 0.438 and 3.7773 (16) Å, and slippage = 0.716 Å]. © Aydin et al. 2018.