top of page
Single Crystal XRD

STRUCTURE DETERMINATION FROM SINGLE CRYSTAL XRD

Scientists routinely use techniques such as NMR (including COSY, NOESY, HETCOR ….), IR, Raman and UV spectroscopy, mass spectrometry, and elemental analysis for the identification and characterization of compounds. After a tedious analysis and interpretation of the experimental data, obtained from these techniques, may yield important information concerning the composition and structure of a compound. However, such information is often incomplete, fragmentary and ambiguous.


In contrast, single crystal XRD one of the most powerful techniques to determine with certainty three-dimensional arrangement of atoms/ions in crystalline materials.  It provides lots of information such as the composition and structure of a compound, atomic connectivity, confirmation (including the absolute stereochemistry), accurate bond lengths and angles, density, packing, hydrogen bonding networks, presence of channels, and solvent location.

Single crystal XRD instrument at Seven Star Pharma
Cu source and an extremely sensitive Photon II CPAD detector
Crystal structure

Figure 1.  X-ray diffractometer with Cu source and an extremely sensitive Photon II CPAD detector.


At Seven Star, we have Bruker D8 Quest single crystal X-ray diffractometer instrument with Cu source and an extremely sensitive Photon II CPAD detector (Figure 1).  It is also equipped with an Oxford Cryosystems Cryostream device for low temperature data collection capability down to about 90 K.

For all the solid form screening projects, we always strive to provide single crystal structure for every crystalline form we discover most importantly without an extra charge. 

bottom of page