Supramolecular networks featuring diverse array of noncovalent interactions in crystals of hydrazinylidene-benzothiazinediones: X-ray crystallographic, DFT and biochemical analysis

Abstract

The intricate role of noncovalent interactions in numerous fields including chemistry, biology, catalysis, material science, and medicinal chemistry provides a continuous impetus towards the discovery of new synthons that stabilize the supramolecular architectures. In this regard, the current work presents a series of five hydrazinylidene-benzothiazinedione derivatives encompassing a wide plethora of noncovalent interactions. Despite the configurational similarity of their hydrazinylidene-benzothiazinedione component, the five crystallographic packing arrangements of 7a–c and 9a,b are unique. The principal intermolecular interactions are C–H⋯O hydrogen bonds and weak C–H···π interactions (Ma..