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EXPERIMENT 7: x-ray diffraction analysis

Introduction classroom room  \ (notes)

Instrument meeting on the 6th floor

Analysis : download Mercury program : Cambridge Crystal Structure Data Base  (CCDC\Mercury 2.3\mercury.exe)

http://www.ccdc.cam.ac.uk/free_services/mercury/

Lecture notes (will be posted here)

Goals of the experiment :

Measure the crystal, complete the structure solution and refinement (~1 day) , You will receive a file (email ) in the results file (.res),

THIS IS YOUR RESULTS FILE

files  :     1 .pdf      2-res
Use Mercury.

Make a drawing drawing of the structure of the molecule, prepared using Mercury
Cell dimensions and space group, R (statistics) value for refined model
Write a brief description of how we determined the structure
Identify ranges of bond lengths for various bond types: C-C single, C-C aromatic, C-N aromatic, C-O, C-S.
Additional assignments (conformation, etc)

Try also to make (ChemDraw) drawing of the molecule we are determining the crystal structure for.


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