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Using structural modularity in cocrystals to engineer properties: elasticity
Subhankar Saha1, Gautam R Desiraju1
1Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, India. desiraju@sscu.iisc.ernet.in.
Chemical Communications (Cambridge, England)
|May 28, 2016
Summary
Cocrystal formation enhances crystal elasticity by increasing molecular stacking and structural isotropy. This study explores how halogenated aromatic acids and heterocyclic bases influence these properties.
Area of Science:
- Crystallography
- Materials Science
- Supramolecular Chemistry
Background:
- Cocrystal formation is a key strategy for modifying material properties.
- Heterocyclic bases and halogenated aromatic acids are common building blocks in crystal engineering.
Purpose of the Study:
- To investigate the impact of cocrystal formation on crystal elasticity.
- To understand the relationship between molecular stacking, structural isotropy, and elasticity in cocrystals.
Main Methods:
- Cocrystallization of selected heterocyclic bases and halogenated aromatic acids.
- X-ray diffraction analysis to determine crystal structures.
- Mechanical testing to evaluate crystal elasticity.
Main Results:
- Cocrystal formation significantly increased molecular stacking interactions.
- A notable increase in structural isotropy was observed in the cocrystals.
- Enhanced structural isotropy correlated directly with increased crystal elasticity.
Conclusions:
- Cocrystal engineering using heterocyclic bases and halogenated aromatic acids is an effective method to enhance crystal elasticity.
- Molecular stacking and structural isotropy are critical factors governing the elastic properties of cocrystals.
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