Figure 3
(a) The XRPD patterns as a function of cooling, indicating the emergence of the β phase at 143 K; (b) the change to the structure from α-NDMA (red) to β-NDMA (black) over the phase transition. The NIF molecules remain in the same plane but move laterally along the direction of the hydrogen bond; (c) Rietveld refinement of the pattern collected at 103 K using the structure solution for β-NDMA obtained from powder data (experimental pattern – red, model – blue, difference – black). A minor contribution from NIF A was also identified in pattern, hkl tick marks for the component phases are shown as vertical bars (black – NIF A, blue – β-NDMA) |