2,4-Dibutoxy-phenyl-boronic acid

Area of Science:

• Crystal engineering and supramolecular chemistry.
• Solid-state structural analysis.
• Organic boron chemistry.

Background:

• Understanding intermolecular forces is crucial for designing materials with specific properties.
• Crystal structure analysis provides fundamental insights into molecular assembly.
• Boron-containing organic compounds exhibit diverse chemical behaviors.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(14)H(23)BO(4).
• To investigate the intermolecular interactions governing the compound's solid-state arrangement.
• To contribute to the understanding of supramolecular assembly in organic boron compounds.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of hydrogen bonds (O-H⋯O) and other non-covalent interactions (C-H⋯O, C-H⋯π).
• Topological analysis of the crystal packing to identify extended network formation.

Main Results:

• The crystal structure features centrosymmetric dimers linked by pairs of O-H⋯O hydrogen bonds.
• These dimers are further organized into a two-dimensional array via C-H⋯O contacts.
• The 2D arrays are interconnected by additional weak O-H⋯O hydrogen bonds and C-H⋯π interactions, forming a complex supramolecular architecture.

Conclusions:

• The crystal structure of C(14)H(23)BO(4) is characterized by a hierarchical assembly of dimers into a 2D network.
• Hydrogen bonding and C-H⋯O/π interactions play significant roles in directing the supramolecular architecture.
• This detailed structural analysis provides a foundation for exploring structure-property relationships in related organic boron compounds.