New Cocrystal Structure Determined by Synchrotron X-ray Diffraction

What is it about?

The crystal structure of carbamazepine and S-naproxen cocrystal was solved using powder X-ray diffraction and Rietveld refinement. The structure has a large unit cell volume and lattice parameters. The arrangement of molecules within the crystal lattice is complex with alternating patterns along the a and b directions. The hydrogen bonding network is also complex with three different types of hydrogen bonds involving the molecules. This cocrystal has potential applications in improving the physicochemical properties of APIs.

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Why is it important?

The crystal structure of the carbamazepine-S-naproxen cocrystal was solved using powder X-ray diffraction and density functional theory calculations, providing insight into the arrangement of molecules in the crystal lattice and the hydrogen bonding network. This research contributes to the understanding of pharmaceutical cocrystals, which have the potential to improve the physicochemical properties of active pharmaceutical ingredients, such as aqueous solubility, dissolution, hygroscopicity, and bioavailability. The large unit cell volume and lattice parameters in this cocrystal are related to the intricate arrangement of the molecules within the crystal lattice, which is often observed in pharmaceutical cocrystals. Key Takeaways: 1. The crystal structure of the carbamazepine-S-naproxen cocrystal was solved using powder X-ray diffraction and density functional theory calculations. 2. The complex arrangement of molecules in the crystal lattice and the hydrogen bonding network of the cocrystal were analyzed. 3. The large unit cell volume and lattice parameters are common in pharmaceutical cocrystals and are related to the intricate arrangement of molecules within the crystal lattice.