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 B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

IUCr IT WDC

home archive editors for authors for readers submit subscribe open access

view article

Figure 5
Molecular graphs of weak intermolecular interactions from theoretical calculations of dimers and trimers at the experimental geometry of (II): (a) C—H⋯C(π) interactions (symmetry: $[1-x, y-{1\over 2}, {1\over 2}-z]$ ); (b) C(π)⋯C,N(π) interactions (symmetry: x, y-1, z); (c) C(π)⋯N(π) interactions (symmetry: -x,-y, -z); (d) H⋯H interactions (symmetry: -x, -1-y, -z; $[x, -{1\over 2}-y, -{1\over 2}+z]$ ). The positions of the bond, ring and cage critical points are shown as small red, yellow and green spheres.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

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

doi:10.1107/S0108768111041747

Follow Acta Cryst. B

Search term		doi		Advanced search
Author		volume	page