Single crystal X-ray diffraction (SCXRD) is a powerful, non-destructive experimental technique used to determine accurately and visualise the molecular structure of crystalline materials.
The technique provides key insights not only for pharmaceuticals in drug development but for any materials where solid form plays a key role including agrochemicals, batteries and personal care. Our laboratory is equipped with a fully automated and highly integrated Rigaku/Oxford Diffraction dual source (Cu/Mo radiation) SuperNova X-ray Single Crystal Diffractometer, Atlas CCD (Charge-Coupled Device) detector and Oxford Cryosystems Cobra liquid-nitrogen cooling apparatus.Other capabilities include:
- Data collection performed at various temperatures ranging between 80-400K (typically 100K)
- Optical microscopes available providing a wide range of magnification options, hot stage and digital video output
- Detailed output including comprehensive SCXRD report, CIF (Crystallographic Information File) and relevant ORTEP figures which could be directly used for regulatory and IP applications
Typical applications are:
- Crystal structure of small organic molecules including neutral APIs, salts and cocrystals
- Confirmation of salt or cocrystal formation for regulatory submission
- Crystal structure of metal organic complexes and metal organic coordination polymers
- Polymorphism and phase identification
- Absolute configuration determination of chiral light-atom molecules
- Variable temperature studies including solid-state to solid state phase transition (work can be performed in parallel with complementary techniques including: XRPD, TGA/DSC, NMR, Raman etc)
We aim to fully understand the solid form and how different solid forms may behave. Please contact us to discuss your project.