Linear Supramolecular Polymer Driven by Br⋅⋅⋅Br and Br⋅⋅⋅H Non-bonding Interactions Based on Inclusion-Complex of Octabromo-Functionalized Pillar[a]rene

Co-crystal structure of inclusion complex based on macrocyclic host of octabromo-functionalized pillar[5]arene (PilBr8) and guest 1-bromooctane (OctBr) molecule is discussed. The host-guest interactions are achieved by efficient C–H⋅⋅⋅O and C–H⋅⋅⋅π nonbonding interactions. The packing pattern of the crystal structure shows the inclusion-complex [PilBr8⊃OctBr] formed one-dimensional supramolecular polymer network driven by Br⋅⋅⋅H and Br⋅⋅⋅Br non-bonding interactions. Hirshfeld surface analysis revealed that the guest molecule plays an important role in formation of self-assembled linear supramolecular polymer trough head-to-tail halogen bond (Br⋅⋅⋅H). Graphical Abstract: Co-crystal ofinclusion complex based on bromo-functionlized pillar[5]arene with1-bromooctane displays the assembly of linear supramolecular polymer promotedby halogen-bonding interactions. [Figure not available: see fulltext.].