Fig. 11

Results of SCDS-PIXEL calculations for polymorph V. a Interaction energies, represented by balls, are separated into internal C-3 interactions (blue) and interactions between neighbouring C-3 tapes (highlighted @1, red; @2, orange; @3, green). The horizontal bars indicate cumulative PIXEL energies (summation from left to right) relative to the E _T,Cry (scale on the right-hand side). A central molecule A (b) or B (c) (coloured orange) and neighbouring molecules involved in eight (b) or nine (c) pairwise interactions (see Additional file 1: Tables S8 and S9). The mean plane of the pyrimidine ring of the central molecule is drawn, H atoms are omitted for clarity and H-bonds are indicated by blue lines