A 3D supramolecular network assembly based on thiacalix[4]arene by halogen–halogen, CH–Br, CH–π, and S–π interactions

We have elucidated an interesting architecture via assembling each of 5,11,17,23-tetrabromo-25,26,27,28-tetrabutoxythiacalix[4]arene molecules in the crystalline state. 5,11,17,23-Tetrabromo-25,26,27,28-tetrabutoxythiacalix[4]arene molecules resulted in a 3D supramolecular assembly through halogen–halogen interactions and further CH–π and S–π interactions by both the crystallographic and computational approaches.