Figure 2
Crystal structure of αI-quinacridone (without lattice defects). View directions (a) [100], (b) [010], (c) [001]. Colour code for all figures: C grey, H white, N blue, O red. Hydrogen bonds are shown as dashed lines. Note that in this work a different unit-cell setting is used than in earlier work (for details, see Section 2.1). The structure after unit-cell transformation and lattice-energy optimization is shown. |