Applicability of transferable multipole pseudo-atoms for restoring inner-crystal electronic force density fields. Chemical bonding and binding features in the crystal and dimer of 1,3-bis­(2-hy­droxy­ethyl)-6-methyl­uracil

Saifina, A.F.; Kartashov, S.V.; Saifina, L.F.; Fayzullin, R.R.

doi:10.1107/S2052252523007108

Figure 3
Fragments of the molecular packing of 1,3-bis(2-hydroxyethyl)-6-methyluracil in the crystal according to the diffraction data: (a) centrosymmetric hydrogen-bonded dimer, (b) and (d) two different views of the same hydrogen-bonded layer, and (c) selected chain formed by C—H⋯O[=C] interactions. Classical and nonclassical hydrogen bonds are shown as purple and green dashed lines, respectively.

IUCrJ

Volume 10| Part 5| September 2023| Pages 584-602

ISSN: 2052-2525

https://doi.org/10.1107/S2052252523007108

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