Experimental and theoretical electron-density study of three isoindole derivatives: topological and Hirshfeld surface analysis of weak intermolecular interactions

Chęcińska, L.; Grabowsky, S.; Małecka, M.; Rybarczyk-Pirek, A.J.; Jóźwiak, A.; Paulmann, C.; Luger, P.

doi:10.1107/S0108768111041747

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

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Figure 3
Hirshfeld surfaces and corresponding fingerprint plots generated from an atomic spherically averaged electron density using the program CrystalExplorer (Spackman & Jayatilaka, 2009

). The colour code on the Hirshfeld surfaces represents the geometrical function d_norm: (a) (I) scale of d_norm is −0.69 to 1.1, (b) (II) scale of d_norm is −0.64 to 1.2, and (c) (III) scale of d_norm is −0.73 to 1.1. Negative values of d_norm indicating areas with contact distances shorter than the sum of the van der Waals radii are coloured red. In the fingerprint plots of (d) (I), (e) (II) and (f) (III), the distances from a surface point to the nearest interior/exterior atoms (d_i/e) are given in Å.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 67| Part 6| November 2011| Pages 569-581

https://doi.org/10.1107/S0108768111041747

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