The halogen / chalcogen bonding and other specific and directional intermolecular interactions are now actively used and investigated as a tool for crystal engineering of new pharmaceutic forms, catalytic systems, enhancing the catalytic activity, selectivity and sustainability of materials through the control of internal structure, crystal morphology and surface properties. Specifically, the talk addresses the fundamentals of halogen / chalcogen bonding interactions, which stabilize the hybrid organometallic-organic co-crystals 1, 2 and computational approaches (combination of the Energy Frameworks 3 with the concept of supramolecular synthon modules4, 5) used understand and predict the structure \ properties of such co-crystals (elucidation of long-range supramolecular synthons, their hierarchy and interactions 6, 7, 8, effect on crystal morphology and polymorphism 9, 10).