CRYSTAL AND MOLECULAR STRUCTURE OF TWO INSECTICIDES: AMIDO-O,S-DIMETHYLTHIOPHOSPHATE AND N-ACETAMIDO-O,S-DIMETHYLTHIOPHOSPHATE

Abstract

Abstract The crystal and molecular structure of title compounds have been determined by means of X-ray analysis. The amido-O,S-dimethylthiophosphate (1) crystallizes in the monoclinic space group P21/n with cell dimensions a=5.374(3), b=9.220(4), c=13.847(5) Å and β=101.08(5)° at the - 100°C. The N-acetamido-O,S-dimethylthiophosphate (2) crystallizes in the monoclinic space group P21/c with cell dimensions a=11.547(3), b=8.545(2), c=8.954(5) Å and β=93.03(4)°. The structures were solved by direct methods and refined by least-squares to R=0.0493(1) and 0.0482(2). The coordination around P of the molecules (1) and (2) is distorted tetrahedrally. Molecules have nearly planar moieties HCSP=O and HNPOC (1). HCSP=O and HCC(O)NHPOC (2) with trans-orientation HCSP, CSP=O and NPOC groups. The angle between these planes is 85.3°(1) and 90.3° (2). There are intermolecular P=O … H—N hydrogen bonds in the crystal structures (1) and (2).