Figure 1
ORTEP drawings (50% probability) of the 1,4-dithiane 1,1,4,4-tetraoxide molecule in crystalline phases 1 and 2. The molecule in phase 1 has 2/m symmetry; in phase 2, it has a center of inversion. All of the unique atoms are labeled as are the symmetry-related carbon atoms to emphasize the different symmetries. Symmetry codes for phase 1: (a) x, 1 − y, z; (b) 1 − x, y, −z; (c) 1 − x, 1 − y, −z. Symmetry code for phase 2: (a) −x, −y, 1 − z. |