X-Ray Structure Analysis

	Team head:  Staff: 3

Research topics:

• determination of crystal structures, naturally originated and pharmaceutically relevant compounds;
• absolute configuration determination of organic compounds (choice of enantiomer, chiral molecule or stereoisomer);
• absolute structure determination for organic molecules containing light atoms O, N as anomalous scatterers - application of the above methods for enantiomer determination in drug/medicine products in accordance with FDA guidelines;
• single crystal sample quality examination and qualification for synchrotron experiments.
• accurate crystal structure analysis using synchrotron and conventional X-ray sources;
• X-ray optics instrumental development.

Research equipment:

• Kappa CCD single crystal diffractometer
• CAD-4 single crystal X-ray diffractometer controlled by microVAX computer
• Primary beam monochromators (graphite, Ge, modular Bartels-Du Mond
• On-line CCD sample image recorder
• Dedicated software for crystal structure determination, refinement and visualisation
• Access to B-2 Powder Diffraction Line at DESY HASYLAB, under Project: II-02-023 RINSOS by HRPD (Rooted In Nature and Synthetic Organic Structures by High Resolution Powder Diffraction)

Awards:

• The division received the Awards of the Minister of Education for research accomplishments in 1976 and 1989.

International collaboration:

• Naval Research Laboratory (Prof. I. Karle, Prof. J. Karle), Washington D. C., 20375, USA;
• Protein Structure Group, University of York (Prof. K. Wilson), York Y01 5DD, U.K.;
• Institut für Organische Chemie, Universität Hannover (Prof. H. Duddeck), Schneiderberg 1B, D-3000 Hannover 1, Germany;
• Bruker - Nonius, Delft (F. van Meurs), Oostsingel 209, 2612 HL, Delft, The Netherlands;
• ESRF Grenoble (J. Hartwig), BP 220, F-38043 Grenoble Cedex, France;
• EMBL/HASYLAB Hamburg (M. Wilmanns, M. Knap, H. Schmidt), Notkestr. 85, D-22607 Hamburg, Germany.

Contact:

Selected publications:

• J. Baranska, J. Grochowski, J. Jamrozik and P. Serda, New Spirans Containing a 1,5 - Benzodithiepine System, Derived from Methylbenzenes. Conformational Transmission, Org. Lett., 2, 2000, 425-427.
• K. Bogdanowicz-Szwed, J. Grochowski, A. Obara, B. Rys, P. Serda, Stereoselective Synthesis of Bridged Azepine Derivatives via Polyfunctionalized Spiroannulated Thiophene. Novel Rearrangement of Oxime Esters, J. Org. Chem., 66, 2001, 7205-7208.
• T. Librowski, R. Czarnecki, S. Lochynski, B. Frackowiak, M. Pasenkiewicz-Gierula, J. Grochowski, P. Serda, Comparative Investigations of Hydroxyamine Carane Derivative and its R,S,-Diastereoisomers with Strong Local Anesthetic Activity, Pol. J. Pharmacol., 53, 2001, 535-539.
• J. Grochowski, P. Serda, C. Baechtz, M. Knapp, HRPD Investigation of Microcrystalline Furanocoumarin, HASYLAB Jahresbericht, (2001), 499-500.
• Ed. J. Grochowski, Co-Ed. W. Paszkowicz, Synchrotron Crystallography - from Source to Applications, Acta Phys. Pol. A, 101, 2002, 565-801.

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