Rapid Structure Determination of Microcrystalline Molecular Compounds Using Electron Diffraction
By T. Gruene, J. Wennmacher, Christan Zaubitzer, J. Holstein, J. Heidler, Ariane Fecteau-Lefebvre, S. De Carlo, Elisabeth Müller, K. Goldie, I. Regeni and 8 more. 2018
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Abstract Chemists of all fields currently publish about 50 000 crystal structures per year, the vast majority of which are X‐ray structures. We determined two molecular structures by employing electron rather than X‐ray diffraction. For this purpose, an EIGER hybrid pixel detector was fitted to a transmission electron microscope, yielding an electron diffractometer. The structure of a new methylene blue derivative was determined at 0.9 Å resolution from a crystal smaller than 1×2 μm2. Several thousand active pharmaceutical ingredients (APIs) are only available as submicrocrystalline powders. To illustrate the potential of electron crystallography for the pharmaceutical industry, we also determined the structure of an API from its pill. We demonstrate that electron crystallography complements X‐ray crystallography and is the technique of choice for all unsolved cases in which submicrometer‐sized crystals were the limiting factor.
Subfields: Inorganic Chemistry, Materials Chemistry, Physical and Theoretical Chemistry
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In Materials Chemistry
Citations in the corpus
- Leginon: New features and applications (2020, methodology): “The method has been developed over several years for protein crystals(19) but recently gained attention when it was demonstrated that the method could also be applied to small organic crystals, to produce data at sub-Angstrom resolution which can be phased using ab initio methods.(20,21) This applic”