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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 benchtop single crystal X-ray diffractometer with the latest technology HPC X-ray detector, ideal for self-service crystallography.

    Single wavelength Confocal Max-Flux (CMF) optics for single crystal diffraction

    Fast, flexible single crystal X-ray diffractometer with the latest generation sources and HPC X-ray detectors, perfect for any crystallography lab

    Single crystal X-ray diffractometer with high-flux microfocus rotating anode X-ray generator

    Versatile and high-flux dual-wavelength (DW) X-ray diffractometer with HPC X-ray detector for multipurpose diffraction experiments

    Versatile and high-flux dual-wavelength (DW) X-ray diffractometer with HPC X-ray detector for multipurpose diffraction experiments

    An upgradeable single crystal X-ray diffractometer for structural analysis of small molecule samples

    Single crystal X-ray diffractometer with custom enclosure and flexibility for easy integration of accessory components

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

    A unique curved single crystal X-ray diffraction detector

    Low noise, sensitive, air-cooled X-ray detector for superior X-ray diffraction data quality

    Compact, highly sensitive X-ray detector for single crystal applications

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

    Automated crystal transport, orientation and retrieval robot

    Automated crystal transport, orientation and retrieval robot

    Applications

    The following applications are relevant to this technique

    Small Molecule

    Protein