Figure 2
Simulated powder patterns (Macrae et al., 2020) for the two P212121 polymorphs of the title compound, with λ = 1.54 Å. Some reflections are indexed, in order to illustrate reflection shifts and intensity variations between both polymorphs. The inset shows an overlay between molecular structures, obtained by fitting C and O atoms in rings C/D/E/F. In the case of QUPKUH (Rajnikant et al., 2000), coordinates deposited in the CSD were inverted, and H atoms were placed in idealized positions. |