Studies of systemic acylanilide fungicides: Part V. Crystal structure and molecular conformation ofDL-methylN-(2,6-dimethylphenyl)-N-(2-phenylacetyl) alaninate

The crystal structure of the title compound (C20H23NO3) was determined by three-dimensionalx-ray analysis from diffractometer data. Crystal data are: monoclinic,C2/c,a=22.425(18) Å,b=11.201(5) Å,c=15.388(16) Å,β=108.95(7)°,Z=8,Dx=1.182 g·cm−3,μ (MoKα)=0.075 mm−1. FinalR=0.083 for 1148 observed reflexions. The 2,6-dimethylphenyl ring is almost perpendicular to the amidic plane of the molecule (dihedral angle of 92.5°) whereas the phenyl group of the phenylacetyl moiety is inclined at 65.4° with respect to the plane through the central part of the molecule. The distance between the two carbonyl oxygens is 3.095 Å, i.e., within the hitherto observed range of 3.028–3.100 Å for related systemic acylanilide fungicides.