Figure 3
Disorder in the crystal of (I). (a) The asymmetric unit, showing atomic displacement ellipsoids at the 30% probability level. The major (solid) and minor (stippled) components have occupancies of 0.6196 (16) and 0.3804 (16), respectively. (b), (c) Crystal packing for these components. In the former, molecule O4H2 acts as an aqua ligand, O3H2 as crystallization water, and vice versa in the latter. Hydrogen bonds are shown as dotted lines, π–π stacking as dashed lines between the centroids of arene rings. Symmetry codes: (1) 1 − x, 1 − y, 1 − z; (2) 1 − x, y, − z; (3) x, 1 − y, + z. |