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.

At Seven Star Pharmaceutical Services, we utilize Single Crystal X-ray Diffraction (SCXRD) to precisely determine the three-dimensional arrangement of atoms or ions in crystalline materials, offering a direct solution to overcome the limitations of traditional techniques. This technique provides comprehensive information, including:

Composition and Structure: Detailed insights into the molecular makeup and architecture of compounds.
Atomic Connectivity: Clarification of how atoms are bonded within the structure.
Conformation and Absolute Stereochemistry: Accurate depiction of molecular shapes and configurations, including chiral centers.
Bond Lengths and Angles: Precise measurements of interatomic distances and angles.
Density and Packing: Understanding of how molecules are arranged and packed in the crystal lattice.
Hydrogen Bonding Networks: Identification of hydrogen bonds and their role in the structure.
Presence of Channels and Solvent Locations: Detection of voids or channels within the crystal and the positioning of solvent molecules.

$Single crystal X-ray diffraction (SCXRD) instrument at Seven Star Pharma$

Cu source with Photon II detector; Single crystal XRD

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

At Seven Star, we have a Bruker D8 Quest single crystal X-ray diffractometer equipped with a Cu source and an extremely sensitive Photon II CPAD detector (See Figure). It also features an Oxford Cryosystems Cryostream device, enabling low-temperature data collection down to approximately 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.