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Chemical / small molecule crystallography

Chemical / small molecule crystallography

Determine the three dimensional structure of molecules

Chemical or small molecule crystallography is a technique that employs single crystal X-ray diffraction (SCX) to unambiguously determine the three-dimensional structure of molecules. When molecules crystalize (think sugar) they form a three-dimensional regular arrangement of molecules. X-rays are diffracted by crystals and the diffraction pattern so created can be measured and analyzed to determine the atomic arrangements within the molecule being studied.  The technique provides accurate and precise measurements of molecular dimensions in a way that no other method can approach. The technique 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. Some of the important information that can be derived from this technique include:

  • Molecular structure and geometry
  • Absolute structure and configuration
  • Structural changes that occur at non-ambient conditions
  • Structural changes that occur in a high-pressure environment
  • Charge density distribution
  • Intermolecular interactions
  • Polymorph characterization for pharmaceutical compounds

    Rigaku recommends the following products:

    A new and fully integrated electron diffractometer for measuring submicron crystals, utilizing a seamless workflow from data collection to structure determination of crystal structures

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

    Our most popular diffractometer for Protein Crystallography, configured with a high-flux rotating anode X-ray source and an extremely low noise direct X-ray detection detector.

    Spectacular performance combined with dual wavelength versatility, provides the perfect answer for high-capacity Chemical Crystallography labs or for X-ray facilities that support Chemical Crystallography and Protein Crystallography.

    An entry-level single crystal X-ray diffractometer for Chemical Crystallography 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.

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

    Robotic sample changer to provide unattended data acquisition, enhanced productivity and standardized workflow to your research environment.

    Automated tool for performing in situ crystallography experiments on existing X-ray diffractometers.

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

    The smallest detachable motorized goniometer head on the market.

    Rigaku's new automated optic alignment solution makes X-ray optic alignment trivial, ensuring peak performance all the time.

    Automated crystal transport, orientation and retrieval robot specifically designed for high-throughput structural biology.

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

    A curved single crystal X-ray diffraction detector based on direct X-ray detection technology with a higher 2θ range compared to a flat detector.

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

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

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

    Application Notes

    The following application notes are relevant to this technique

    Small Molecule

    Small Molecule, Single crystal

    Protein, Single crystal

    Single crystal, Small Molecule

    Protein, Small Molecule, Single crystal