The crystal and molecular structures of 2-thiono-2-N-(diisopropylamino)-1,3,2-dithiophosphorinane and of 2-thiono-2-aziridino-1,3,2-dithiaphosphorinane

Abstract

The structures of 2-thiono-2-N-(diisopropylamino)-1,3,2-dithiaphosphorinane (I) and of 2-thiono-2-aziridino-1,3,2-dithiaphosphorinane (II) have been determined from X-ray data by direct methods. Crystals of I are monoclinic, space group P2Jc, a = 14.027(1), b = 7.535 (1), c = 13.661 (1) A, fi --102.41 (1) °, Z --4. Crystals oflI are orthorhombic, space group Pnma, a = 11-064 (5), b --10.044 (4), c = 8.508 (7) ,/~. Z --4.The two molecules adopt a chair conformation, with the P=S bond axial in I, and equatorial in II. The sum of the angles around the N atom in I is 360 ° and the plane defined by the atoms attached to this N almost bisects the SPS angle of the ring. II has a plane of symmetry which bisects the aziridine ring.

Structure of 2,2-dimethyl-3-(2-methyl-1,3-dithian-2-yl)-3-phenylaziridine

“…Selected torsional and dihedral angles (°) Grand, Robert & Filhol (1977) and Noordik, Smits, Sicherer-Roetman, Jansen & de Groot (1985). The crystalline cohesion is ensured by a pair of symmetry-related intermolecular N...N' bonds span-:!…”