Single Crystal X-ray Diffraction (SCXRD)
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.
