Four interpenetrating hydrogen-bonded three-dimensional networks in divanillin

Area of Science:

• Crystallography
• Materials Science
• Chemical Physics

Background:

• Divanillin, a biphenyl derivative, exhibits unique chemical properties.
• Understanding its solid-state structure is crucial for material applications.
• Powder X-ray diffraction is a key technique for crystal structure determination.

Purpose of the Study:

• To elucidate the crystal structure of divanillin.
• To investigate the intermolecular interactions governing its solid-state arrangement.
• To correlate the crystal structure with the observed aging process of divanillin powders.

Main Methods:

• Laboratory powder X-ray diffraction data collection.
• Crystal structure solution using EXPO2013 (direct methods).
• Structure refinement using WinPSSP (direct-space approach).

Main Results:

• Divanillin crystallizes in the orthorhombic space group Pba2.
• Molecules form a 3D hydrogen-bonding network with diamond-like arrangements.
• Interpenetrating networks and π-π interactions were observed.
• A quadruple array of interpenetrating networks was identified.

Conclusions:

• The complex 3D hydrogen-bonding network of divanillin is elucidated.
• This intricate network is proposed as the reason for divanillin powder aging.
• The study provides insights into structure-property relationships in organic materials.