Charge-density analysis using multipolar atom and spherical charge models: 2-methyl-1,3-cyclopent­anedione, a compound displaying a resonance-assisted hydrogen bond

Nassour, A.; Kubicki, M.; Wright, J.; Borowiak, T.; Dutkiewicz, G.; Lecomte, C.; Jelsch, C.

doi:10.1107/S2052520613031375

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 10
Laplacian of the EXP_MUL electron density (a) in the plane y = 0 of the molecule and (b) in the O1⋯H3—O3 plane of the strong hydrogen bond. Contour level: ±2, 4, 8 × 10ⁿ e Å⁻⁵, n = −1, 0, 1. Positive: solid lines; negative: dashed lines. Bond CPs are also shown.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 70| Part 2| March 2014| Pages 197-211

doi:10.1107/S2052520613031375

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