Intermolecular interactions in the formation of two-component molecular crystals composed of chloronitrobenzoic acids and 4-benzoylpyridine

Abstract The molecular structures of six two-component molecular crystals using chloronitrobenzoic acids and 4-benzoylpyridine as components were characterized by a combination of techniques: solution NMR, solid-state IR spectra, differential scanning calorimetry (DSC) and single-crystal X-ray crystallography. The X-ray analysis revealed that the brief alternation of substituents in acid components greatly affected the packing modes of molecular crystals, and that the weaker intermolecular interactions such as C–H⋯O hydrogen bondings and π–π stacking interactions play a significant role in determining the packing modes of molecular crystals.