Crystal Structure of N-(4-Methylbenzothiazole-2-yl)-1-(4-trifluoromethylphenyl)-O,O-dipropyl-α-aminophosphonate

Abstract

The crystal structure of N-(4-methylbenzothiazole-2-yl)-1-(4-trifluoromethylphenyl)-O,O-dipropyl-α-aminophosphonate was determined by X-ray analysis. The compound crystallizes in the monoclinic system, space group P2₁/c, with unitcell parameters of a = 9.0204(13), b = 25.289(4), c = 10.8869(15)Å, and β = 104.159(2)°. The crystal structure was solved by direct methods and refined by full-matrix least squares to final values of R = 0.0524 and Rw = 0.1357 with 2879 reflections (I>2σ(I)). The dihedral angle between the planes of benzothiazole and benzene is 71.75°.