Single Crystal Structure Elucidation

Are you facing the challenge of getting reliable single crystal structures of API or intermediate compounds?

You can get professional help from our leading crystallization expert with decades of successful experience from BMS and the Center for Pharma Crystallization (CfPC) at J-STAR Research.

In the past 5 years, more than 200 single crystal structures have been elucidated in support of fast-paced new drug development programs. Many of these compounds are extremely challenging to grow high quality crystals sufficient for reliable structure elucidation.

The utilities of crystal structure elucidation, which are multi-faceted as highlighted below, support different aspects of a drug development program:

• Confirm crystal structures for patent applications and regulatory fillings
• Determine chemical structure, 3-D molecular conformation and/or orientation, chemical composition, intermolecular interactions in crystalline solids
• Differentiate polymorphs and support relative stability investigation
• Simulate PXRD pattern from a crystal structure as the “gold standard” pattern for the crystal form
• Support process development, e.g., crystallization or form transformation, drying, API-excipient stability, etc
• Interpret solid-state properties aided from a crystal structure perspective
• Enable crystal structure based simulation for prediction of lead co-former, solvent or anti-solvent, etc.
• Understand chemical reactions and mechanisms