Intermolecular Interactions and Energetics in the Crystalline π–π Stacks and Associated Model Dimer Systems of Asymmetric Halogenated Diketopyrrolopyrroles

• Published in: Crystal growth & design Vol. 16; no. 3; pp. 1531 - 1542
• Main Authors: Calvo-Castro, Jesus, Warzecha, Monika, Oswald, Iain D. H, Kennedy, Alan R, Morris, Graeme, McLean, Andrew J, McHugh, Callum J
• Format: Journal Article
• Language: English
• Published: American Chemical Society 02.03.2016

Four novel structurally analogous asymmetric, halogenated N-benzyl substituted diketopyrrolopyrroles (DPP) have been synthesized, and their crystal structures obtained. All four crystal structures exhibit π–π stacks with very small displacements along their short molecular axes, which based upon our...