Small Molecule Crystallography / X-Ray Diffraction (XRD)

Small molecule crystallography or x-ray diffraction (XRD), also known as Single Crystal X-Ray Diffraction (SXRD) or chemical crystallography is a technique that is particularly useful for determining the 3-diminensional structure of small molecules that are interest to chemists and biologists. Such compounds may be organic or inorganic in nature and often have molecular weights less than 2000Da.

This technique is used to study issues that are primarily of a chemical nature. It provides accurate and precise measurements on a molecular scale that are simply not possible using any other analytical technique.


Some applications of small molecule x-ray diffraction include determining the 3-dimensional structure of:

  • Synthetic chemicals
  • Catalysis
  • Pharmaceuticals
  • Natural products
  • Metallo-supramolecular self-assemblies


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