Thiacalix[4]arenes are one kind of robust scaffolds and extensively applied in supramolecular chemistry and materials science owing to their novel features. This article reviews the research progress of thiacalix[4]arene derivatives in crystal and organic supramolecular structures. The actual morphological parameters of various conformers and their binding patterns as well as typical supramolecular assemblies are briefly summarized. Versatile interactions involving hydrogen bonds, C–H⋯π, π–π, halogen⋯π and ancillary electrostatic contacts between heteroatoms were found to play an important role in governing the conformational and supramolecular structures of thiacalix[4]arenes in the solid state. In some cases, the solvent molecules also participate in regulating the conformer and the packing of thiacalix[4]arenes.