Figure 4
Overlay of representative XRPD and SX structures (by different authors). (a) Amodiaquinium dichloride dihydrate, XRPD structure in red [SENJIF (Llinàs et al., 2006), 298 K, RMSCD = 0.12 Å, i.e. the average of the distribution in Fig. 2], SX structure in blue [SENJIF01 (Mangwala Kimpende & Van Meervelt, 2010), 100 K]. (b) Nifedipine, XRPD structure in red [BICCIZ01 (Bortolotti et al., 2011), 298 K, RMSCD = 0.34 Å], SX structure in blue [BICCIZ03 (Gunn et al., 2012), 298 K]. H atoms omitted. |