Single Crystal X-Ray Diffraction


Single crystal X-ray diffraction is a powerful technique, used to study the structure of solids (organic, inorganic or metallorganic). In particular, it provides the type and dimensions of a crystal lattice and the precise positions of atoms in the unit cell. The technique requires single crystal samples (no policrystals, no twinned) of at least 01 x 0.1 x 0.1 mm size. The experiment can be carried out in protected environment in a temperature range 90-400 K. The diffraction experiment normally takes one day of measurement and one day of crystal structure solution and refinement. The ARS team provides a crystallographic information file (cif) for visualization and analysis, tables of atomic positions and bond distances, full description of the experiment in a format ready for publication.


  • molecular geometries (bond distances and angles, conformations)
  • supramolecular structure (intermolecular interactions, crystal packing)
  • absolute configuration (not guaranteed for compounds containing only first and second period atoms))
  • crystal morphology and orientation


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