The crystal and molecular structure of triphenylsilicon isothiocyanate

The structure of Ph3SiNCS has been determined by single crystal X-ray diffraction, and refined to R = 0.055 for 2841 diffractometer data. The crystals are monoclinic, P21/c, with a = 9.402(8), b = 18.735(16), c = 11.350(9) Å, β = 118.98(2)°, and Z = 4. The structure consists of isolated molecules, with one molecule in the asymmetric unit. Some mean bond lengths and angles are: SiN, 1.735(5); SiC, 1.851(4); NC, 1.156(4); CS, 1.562(4); CC, 1.381(8) Å; CSiN, 106.3(8); CSiC, 112.4(6); SiNC, 170.7(2); and NCS, 178.9(3)°.