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Figure 6
Plots of the deformation density (a), (b) and the negative Laplacian function (c), (d) in the plane of the amide group, showing the bond paths and bond critical points (red circles). Plots are calculated from the multipole models obtained by refinement against the experimental (a, c) and the theoretical (b, d) structure factors. Positive contours in blue, negative in red; contours levels for the deformation map at 0.1 e Å−3; for the Laplacian map at −1.0 × 10−3, ± 2.0 × 10n, ±4 × 10n, ± 8 × 10n (n = −3, −2, −1, 0, +1, +2) e Å−5.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 72| Part 1| January 2016| Pages 39-50
doi:10.1107/S2052520615019538
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