Crystallization of Small Organic Molecules in Lyotropic Liquid Crystals

In contrast to spectroscopy-based technologies such as NMR, mass spectrometry, and computational prediction of spectroscopic properties, single-crystal X-ray diffraction analysis emerges as the most dependable method for structural determination. It serves as the definitive method, particularly in challenging cases, where other approaches fail to yield precise results. However, the generation of high-quality single crystals remains a frequently encountered obstacle. Here, we present a strategy employing an alignment medium to enhance the growth of single crystals for small organic compounds. Furthermore, a mathematical crystallization model based on classical nucleation theory was conducted specifically designed for alignment media. The hypothesis suggests that alignment media effectively reduce the solution entropy, thereby lowering the free energy barrier associated with crystal nucleus formation and facilitating the crystallization process. Employing an alignment medium derived from self-assembled oligopeptide nanotubes (AAKLVFF), we successfully cultivated single crystals of diverse organic compounds. Our discovery unveils an innovative concept and an accessible approach for acquiring single crystals of organic compounds.