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Chemical / small molecule crystallography

Chemical / small molecule crystallography

Determine the three dimensional structure of molecules

IUCr Corporate associateSometimes referred to as small molecule crystallography, this technique employs single crystal X-ray diffraction (SXRD) to unambiguously determine the three dimensional structure of molecules. The technique involves the use of crystallography to study problems which are primarily of a chemical nature and provides accurate and precise measurements of molecular dimensions in a way that no other method can approach. Chemical crystallography may be applied to compounds of both chemical and biological interest, including: new synthetic chemicals, catalysts, pharmaceuticals, and natural products. A frequent use is the identification of natural products, or of the products of synthetic chemistry experiments; however, detailed molecular geometry, intermolecular interactions and absolute configuration can also be studied.

  • Crystal structure determination
  • Molecular structure and geometry
  • Absolute structure and configuration
  • Single crystal diffraction
  • Powder diffraction,
    • Ambient and non-ambient conditions
    • Displacement parameters
    • Charge density
    • Intermolecular interactions
    • Structure correlation

    Rigaku recommends the following systems:


    A benchtop single crystal X-ray diffractometer ideal for self-service crystallography and teaching.

    Our most popular diffractometer for chemical crystallography, configured with either single or dual microfocus sealed tube X-ray sources and an extremely low noise direct X-ray detection detector.

    An extremely high-flux rotating anode X-ray diffractometer specifically configured for measuring difficult samples.

    A dual-wavelength, extremely high-flux, rotating anode X-ray diffractometer specifically configured for measuring difficult samples as well as providing versatility through multiple wavelengths.

    A modern single crystal X-ray diffractometer for structural analysis of small molecule samples configured with microfocus sealed tube technology and a direct X-ray detection detector.

    A bespoke, extremely high-flux diffractometer with custom enclosure and the flexibility to utilize both ports of the rotating anode X-ray source.

    User-inspired data collection and data processing software for small molecule and protein crystallography

    A unique curved single crystal X-ray diffraction detector based on direct X-ray detection technology with the highest 2θ range at a single position available for the home lab.

    Extremely low noise, air-cooled X-ray detector based on direct X-ray detection technology.

    Extremely low noise, compact, air-cooled X-ray detector based on direct X-ray detection technology.

    High-resolution X-ray detectors for X-ray diffractometers from DECTRIS

    Automated crystal transport, orientation and retrieval robot