Proposed experiments
Success and precision of an X-ray diffraction analysis crucially depend on the quality of the crystalline state of the submitted sample. Depending on its atomic composition, the number of atoms and the type of diffractometer used, a single crystal with at least one dimension of a few tens of microns may suffice for unambiguous atomic identification and conformational characterization.
Since the preparation of monocrystalline samples is of paramount importance, we encourage it by means of crystallization tips, plate vapor diffusion tests, soaking in sponge crystals, and so on.
The experiments upon air-stable samples are carried out at room temperature (20 ° C) or if needed, as a function of the temperature, potentially from 100 K to 400 K under a nitrogen atmosphere.
Types of analysis proposed :
- Comprehensive analysis of the molecular structure (chemical formula, geometric and conformational parameters, intra and intermolecular bonds, modes of molecular associations).
Description of the crystal packing (Hirschfeld surface). - Determination of the relative stereochemistry and absolute configuration, straightforward in the presence of “heavy” atoms (S, Cl, Br, etc.) or known chiral adduct, or more challenging for organic molecules.
- Test on Powder samples for 2D-spectra and PDF analysis can be carried out.
- Preparation of cif or pdb files for structural databases deposit (CCDC, PDB).
- Report of the results and detailed structural analyses for input in thesis manuscript and publications with scientific reading committee.
Service request :
The service is open to discussion for designed experiments that would exploit the potential of our X-ray diffractometers.
For any quote request, please contact the service manager.
Crystals or samples to crystallize can be deposited (or sent by mail after prior agreement) to the crystallography service with a completed Ms-Word request form (one per sample) that can be downloaded here.