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Figure 11
Molecule of 2°AP-β with its closest neighbors in the crystal structure viewed along (a) the π⋯π stack and (b) from the side, as refined at 290 K. Harmonic anisotropic ADPs represented at the 50% probability level. Anharmonic contributions to the total probability distribution function are represented as red (peanut-shaped) isosurfaces and scaled by 1.5 for better visibility. The arrows indicate the principal axes of the thermal expansion (red – positive, lavender – negative) superimposed on the crystal structure. The arrow widths are scaled by the thermal expansion αL coefficients. (c) Schematic of the influence of prominent transverse vibrations on a ribbon of objects.

IUCrJ
Volume 12| Part 1| January 2025| Pages 23-35
ISSN: 2052-2525
https://doi.org/10.1107/S2052252524010443