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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.

See the article "What is This?" A Structure Analysis Tool for Rapid and Automated Solution of Small Molecule Structures by Takashi Matsumoto, Akihito Yamano, Takashi Sato, Joseph D. Ferrara, Fraser White and Mathias Meyer in Journal of Chemical Crystallography.

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 systems:


    Our most popular diffractometer for single crystal analysis, 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 measuring difficult samples, configured with a high-flux rotating anode X-ray source and an extremely low noise direct X-ray detection detector.

    A dual-wavelength, 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 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.

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

    The smallest detachable motorized goniometer head on the market.

    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.

    Applications

    The following applications are relevant to this industry

    Small Molecule

    Small Molecule, Single crystal

    Protein, Single crystal