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(2,4-Dipropoxyphen-yl)boronic acid
Marek Dąbrowski1, Krzysztof Durka, Sergiusz Luliński
1Physical Chemistry Department, Faculty of Chemistry, Warsaw University of Technology, Noakowskiego 3, 00-664 Warsaw, Poland.
Acta Crystallographica. Section E, Structure Reports Online
|December 27, 2011
Summary
The crystal structure of C(12)H(19)BO(4) reveals a unique three-dimensional network. This network is formed through a series of hydrogen bonds and weak interactions, showcasing intricate molecular assembly.
Area of Science:
- Crystal Engineering
- Supramolecular Chemistry
- Materials Science
Background:
- Understanding the intermolecular forces that govern crystal packing is crucial for designing materials with specific properties.
- Hydrogen bonding and weaker interactions play significant roles in the self-assembly of molecules in the solid state.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(12)H(19)BO(4).
- To investigate the types and roles of intermolecular interactions in the formation of the 3D network.
Main Methods:
- Single-crystal X-ray diffraction analysis was employed to determine the molecular and crystal structure.
- Analysis of hydrogen bonding (O-H⋯O, C-H⋯O) and C-H⋯π interactions was performed.
Main Results:
- The compound crystallizes as a centrosymmetric dimer linked by O-H⋯O hydrogen bonds.
- These dimers form infinite zigzag chains via C-H⋯O hydrogen bonds along the [1[Formula: see text]1] direction.
- The chains assemble into sheets parallel to (21[Formula: see text]), interconnected by C-H⋯π interactions to yield a 3D network.
Conclusions:
- The crystal structure of C(12)H(19)BO(4) is characterized by a robust three-dimensional network.
- The intricate assembly is driven by a combination of strong and weak intermolecular interactions, highlighting principles of crystal engineering.
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