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Figure 5
Contour maps of (a) the static deformation ED δρ(r) and (b) the Laplacian of the ED ∇2ρ(r) for 1,3-bis­(2-hy­droxy­ethyl)-6-methyl­uracil, calculated from the experimental multipole data. Blue, green and red isocontours correspond to positive, zero and negative function values, respectively. Contour steps are 0.1 e Å–3 for the δρ(r)-map; the logarithmic scale in the form ±1, 2, 4, 8 × 10n (−3 ≤ n ≤ 2) e Å–5 is adopted for the ∇2ρ(r)-map. The distance between the 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