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Figure 6
Contour maps of the inner-crystal (a) bosonic and (b) fermionic potentials, φW(r) and φf(r), for 1,3-bis­(2-hy­droxy­ethyl)-6-methyl­uracil, calculated from the experimental multipole-derived ED. Contour intervals of 0.2 a.u. are used; additional contours are shown at −1.2 and 1.6 a.u. for φW(r); and −0.3, ±0.1, 4 and 10 a.u. for φf(r). Function scale bars are presented above the maps. The distance between adjacent axis tick marks is 1 Å. Both maps are plotted on the same atomic plane of N1, N3 and C6.

IUCrJ
Volume 10| Part 5| September 2023| Pages 584-602
ISSN: 2052-2525
https://doi.org/10.1107/S2052252523007108