CRYSTAL-STRUCTURES OF ALPHA-MODIFICATION AND BETA-MODIFICATION OF TRICHLOROPHOSPHAZO-N-SULFURYLCHLORIDE CL3PNSO2CL

The X-ray structures of a high temperature alpha-phase (monoclinic, P2 (1)/c, Z = 24) and a low temperature beta-phase (orthorhombic, Pbca, Z = 8) of trichlorophosphazo-N-sulfurylchloride Cl3PNSO2Cl were determi ned at 173 K and 150 K, respectively. Both modifications are composed of isolated molecules arranged in layers with no strong intermolecular interactions with numerous Cl...O intermolecular interactions. The mo lecules in both modifications are fairly eclipsed along the P...S dire ction, the largest deviation from an ideal position being -17.4(2)degr ees and 22.7(3)degrees. The bond lengths and angles of all molecules a re equal within 4 sigma limits with an exception of P-Cl bonds.