Noncovalent interactions are important for determining the assembling modes of materials. Electronically neutral π-systems form stacking structures based on π–π interactions, which mainly derived from dispersion forces. Introducing charges into would affect interaction, owing to increased contribution electrostatic This unique we have proposed as iπ–iπ can provide ion pairs that assembled struc...

In order to understand how the polarization of aromatic systems, through the introduction of a nitrogen heteroatom, affects the π-π interactions and crystal packing of mercury coordination compounds, in this study, N-(quinolin-2-yl)pyrazine-2-carboxamide and N-(quinolin-3-yl)pyrazine-2-carboxamide ligands were employed in the synthesis of five Hg(II) complexes, [HgBr2(L2=quin)2]n, 1, [HgI2(L2=q...

In the title co-crystal, C5H3ClO2S·C13H9N, the components inter-act with each other via an O-H⋯N hydrogen bond. Acridine-acridine stacking, thio-phene-thio-phene stacking and acridine-thio-phene C-H⋯π inter-actions also occur in the crystal.

The ability to design and fine-tune non-covalent interactions between organic ligands and proteins is indispensable to rational drug development. Aromatic stacking has long been recognized as one of the key constituents of ligand-protein interfaces. In this communication, we employ a two-parameter geometric model to conduct a large-scale statistical analysis of aromatic contacts in the experime...

A new BODIPY system displaying an intramolecular π-π-interaction was synthesized and studied. When the selenium center was oxidized, the substituted phenyl group undergoes π-π stacking with one side of the BODIPY core. The oxidized form showed, not only a down-field shift in the NMR peak, but also splitting due to geometrical changes that arise when going from Cs to C1. The compound was charact...