Cocrystallization with a clip-type molecule catcher: a new method to determine structures of liquid molecules

Single-crystal X-ray diffraction analysis is a vital and precise method to identify the structures and absolute configurations of molecules at the atomic level. However, this method is not suitable for liquid molecules. Here, we report a new and easy method to tackle this challenge via merging supramolecular chemistry and crystal engineering. A glycoluril-derived molecular clip as a molecule catcher is designed and synthesized which forms cocrystals with four different liquid molecules within 24 hours, leading to the confirmation of the structures of these liquid molecules. This work is expected to open new opportunities for the structural identification of liquid molecules.