Halogen bond, hydrogen bond and N⋯C interaction - On interrelation among these three noncovalent interactions

► The ternary (CH3X)(HNC)(HCN) complexes (X = Cl, Br) are investigated. ► Hydrogen bond, halogen bond and N⋯C interaction coexist in these complexes. ► The interrelation among three different type interactions is studied. ► H-bond predominates, whereas halogen bond is the weakest interaction. ► Both two- and three-body contributions to interaction energies are estimated by SAPT.