Polymorphism Control of Carbamazepine Based on Deep Eutectic Solvents

Area of Science:

• Solid-state chemistry
• Materials science
• Pharmaceutical sciences

Background:

• Carbamazepine (CBZ) exhibits polymorphism, existing in various crystal forms and hydrates.
• Controlling crystal form and morphology is crucial for drug efficacy and formulation.

Purpose of the Study:

• To investigate the effects of deep eutectic solvents (DESs) on the crystal form and morphology of carbamazepine (CBZ).
• To explore the potential of DES systems for regulating CBZ crystallization.

Main Methods:

• Determining CBZ solubility in various DES mass ratios.
• Preparing and analyzing single crystals of CBZ crystal form VI.
• Utilizing computational methods including molecular electrostatic potential surface (MEPS), Hirshfeld surface (HS), and molecular dynamics (MD) calculations.

Main Results:

• Carbamazepine crystal form VI was successfully obtained under specific experimental conditions.
• The composition and mass ratio of DES in methanol, along with supersaturation, influenced the morphology of form VI.
• Differences between the new crystal form and existing CBZ polymorphs were analyzed.

Conclusions:

• A novel crystal form (VI) of carbamazepine was achieved using a DES solvent system.
• DES can modify intermolecular interactions, enabling the formation of new crystal forms and morphologies.
• This research highlights the utility of DES in controlling pharmaceutical solid-state properties.