Single crystal X-ray diffraction

3D structure of small molecules

The most common experimental method of obtaining a detailed structure of a molecule, that allows resolution of individual atoms, single crystal X-ray diffraction (SXRD) is performed by analyzing the pattern of X-rays diffracted by an ordered array of many identical molecules (single crystal). Many pure compounds, from small molecules to organometallic complexes, proteins, and polymers, solidify into crystals under the proper conditions. When solidifying into the crystalline state, these individual molecules typically adapt one of only a few possible 3D orientations. When a monochromatic X-ray beam is passed through a single crystal, the radiation interacts with the electrons in the atoms, resulting in scattering of the radiation to produce a unique image pattern. Multiple images are recorded, with an area X-ray detector, as the crystal is rotated in the X-ray beam. Computationally intensive analysis of a set images results in a solution for the 3D structure of the molecule.

Systems

  XtaLAB mini
Benchtop small molecule system makes routine self-serve crystallography possible for the synthetic chemist
    XtaLAB PRO
Advanced HPAD detector small molecule systems available with a variety of X-ray sources and an optional robotic sample changer
    XtaLAB R-AXIS
Advanced imaging plate detector small molecule systems available with a variety of X-ray sources and an optional robotic sample changer