25,26,27,28-Tetra­kis(3-bromo­benzyl­oxy)calix[4]arene
2011

Study of a Calix[4]arene Compound

publication Evidence: moderate

Author Information

Author(s): Lee Eunji, Moon Suk-Hee, Kim Tae Ho, Park Ki-Min

Primary Institution: Gyeongsang National University

Hypothesis

The title compound adopts a 1,2-alternate conformation and is suitable for constructing metallo-supramolecular architectures.

Conclusion

The crystal structure of the compound reveals significant intramolecular and intermolecular interactions that may stabilize the crystal packing.

Supporting Evidence

  • The calix[4]arene unit displays a 1,2-alternate conformation with crystallographic inversion symmetry.
  • The four phenoxy rings are twisted about the mean plane with specific dihedral angles.
  • Intramolecular C—H⋯π interactions and intermolecular C—H⋯Br hydrogen bonds contribute to the crystal stability.

Takeaway

Scientists made a special molecule called calix[4]arene that can change shape, and they found out how it fits together in crystals.

Methodology

The compound was synthesized through refluxing calix[4]arene with caesium carbonate and 1-bromo-3-(methylbromo)benzene, followed by crystallization.

Digital Object Identifier (DOI)

10.1107/S1600536811022975

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