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<p>Single-crystal X-ray diffraction analysis was employed to investigate the inclusion behavior of [2]biphenyl-extended pillar[6]arene (<b>BP8</b>) in the presence of dichloromethane (DCM), 3,5-lutidine (Lut), and ethyl acetate (EtOAc). In all cases, <b>BP8</b> forms 1:2 host–guest inclusion complexes, namely <b>BP8.2DCM</b>, <b>BP8.2Lut</b>, and <b>BP8.2EtOAc</b>, in which two guest molecules are encapsulated within the macrocyclic cavity. The host framework adopts a slightly distorted hexagonal conformation that remains largely preserved across all three structures, indicating minimal structural perturbation upon guest inclusion. While the overall crystal packing motifs are comparable, notable differences arise in the intermolecular interactions. Specifically, 3,5-lutidine and ethyl acetate engage in additional non-covalent interactions with adjacent macrocycles, whereas dichloromethane is involved primarily in encapsulation without significant external interactions. The resulting supramolecular assemblies were fully characterized using single-crystal X-ray diffraction and Hirshfeld surface analysis.</p> Graphical Abstract <p></p>

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Single-Crystal X-ray Diffraction Study of 1:2 Inclusion Complexes of [2]Biphenyl-Extended Pillar[6]arene with Dichloromethane, 3,5-Lutidine and Ethyl Acetate

  • 期刊论文

  • 发表日期：

    2026年7月27日

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  • Mickey Vinodh,
  • Randa Abd Almoaeen,
  • Fatemeh H. Alipour,
  • Talal F. Al-Azemi

摘要

Single-crystal X-ray diffraction analysis was employed to investigate the inclusion behavior of [2]biphenyl-extended pillar[6]arene (BP8) in the presence of dichloromethane (DCM), 3,5-lutidine (Lut), and ethyl acetate (EtOAc). In all cases, BP8 forms 1:2 host–guest inclusion complexes, namely BP8.2DCM, BP8.2Lut, and BP8.2EtOAc, in which two guest molecules are encapsulated within the macrocyclic cavity. The host framework adopts a slightly distorted hexagonal conformation that remains largely preserved across all three structures, indicating minimal structural perturbation upon guest inclusion. While the overall crystal packing motifs are comparable, notable differences arise in the intermolecular interactions. Specifically, 3,5-lutidine and ethyl acetate engage in additional non-covalent interactions with adjacent macrocycles, whereas dichloromethane is involved primarily in encapsulation without significant external interactions. The resulting supramolecular assemblies were fully characterized using single-crystal X-ray diffraction and Hirshfeld surface analysis.

Graphical Abstract