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

• Published in: Journal of chemical crystallography Vol. 52; no. 3; pp. 399 - 406
• Main Authors: Vinodh, Mickey, Al-Azemi, Talal F.
• Format: Journal Article
• Language: English
• Published: New York Springer US 01.09.2022; Springer; Springer Nature B.V
• Subjects: Analysis; Chemistry; Chemistry and Materials Science; Crystal structure; Crystallography and Scattering Methods; Crystals; Hydrogen; Inclusion complexes; Inorganic Chemistry; Organometallic Chemistry; Original Paper; Physical Chemistry; Polymer industry; Polymers; Self-assembly; Structure; Supramolecular polymers; Surface analysis (chemical); Pillararenes; Hirshfeld surface analysis; Host-guest system; Supramolecular polymer; Halogen-bonding
• ISSN: 1074-1542; 1572-8854
• DOI: 10.1007/s10870-022-00936-2

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 of inclusion complex based on bromo-functionlized pillar[5]arene with 1-bromooctane displays the assembly of linear supramolecular polymer promoted by halogen-bonding interactions.