(Dodecafluorosubphthalocyaninato)(4-methylphenolato)boron(III)

Area of Science:

• Supramolecular Chemistry
• Crystal Engineering
• Organoboron Chemistry

Background:

• Understanding molecular arrangement is crucial for designing materials with specific properties.
• Bowl-shaped molecules offer unique structural motifs for self-assembly.
• Organoboron compounds are versatile building blocks in various chemical applications.

Purpose of the Study:

• To investigate the crystal structure and intermolecular interactions of a novel boron-containing compound.
• To elucidate the self-assembly behavior of bowl-shaped molecules in the solid state.
• To characterize the packing arrangement and bonding in the title compound.

Main Methods:

• Single-crystal X-ray diffraction analysis was employed to determine the molecular structure and crystal packing.
• Intermolecular distances and interactions, including B⋯B contacts, were analyzed.
• Geometric parameters such as ring centroid distances were calculated.

Main Results:

• The title compound, C(31)H(7)BF(12)N(6)O, crystallizes in a structure featuring one-dimensional columns.
• Molecules are arranged in a concave bowl-to-ligand fashion within these columns.
• A significant intermolecular B⋯B distance of 5.3176(8) Å and a ring centroid distance of 3.532(2) Å were observed.

Conclusions:

• The observed arrangement highlights the role of intermolecular forces in directing the self-assembly of bowl-shaped molecules.
• The specific packing motif suggests potential for directional interactions and tailored material properties.
• This study provides insights into the supramolecular chemistry of organoboron compounds.