Abstract
The structure of bis(N,N,N',N' -tetramethylthiophosphoramidoyl)-methylamine (1) under bar has been determined by single-crystal X-ray diffraction. The compound (1) under bar crystallizes in the monoclinic system, with a space group P2(1)/c, a = 11.836(2) angstrom, b = 11.659(2) angstrom, c 12.796(5) angstrom and beta = 95.28(3)degrees, V 1758.3(5) angstrom(3) and Z = 4. The X-ray crystallographic data have been assessed by semi-empirical and ab-initio density functional theory and by Hartree-Fock molecular orbital methods. A comparative study of the results of the different methods is given.