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

• Published in: Acta crystallographica. Section B, Structural science Vol. 67; no. 6; pp. 569 - 581
• Main Authors: Chęcińska, Lilianna, Grabowsky, Simon, Małecka, Magdalena, Rybarczyk-Pirek, Agnieszka J., Jóźwiak, Andrzej, Paulmann, Carsten, Luger, Peter
• Format: Journal Article
• Language: English
• Published: 5 Abbey Square, Chester, Cheshire CH1 2HU, England International Union of Crystallography 01.12.2011; Blackwell Publishing Ltd
• Subjects: Biological; CH...π interactions; close H...H contacts; Crystallography; Derivatives; Diffraction; electron density; Electrons; Electrostatics; Fragments; Hydrogen Bonding; isoindole derivatives; Isoindoles - chemistry; Mathematical models; Surface Properties; Topology; weak interactions; X-Ray Diffraction; π...π interactions

A combined experimental and theoretical study of three isoindole derivatives was made on the basis of a topological analysis of their electron‐density distributions. Experimental electron densities were determined from high‐resolution X‐ray diffraction data sets measured with synchrotron radiation a...