Crystal Research and Technology
Cryst. Res. Technol. 36 (2001) 485 - Abstract -

S. Thiyagarajan, P. Karthe, S. S. Rajan, N. Gautham, A. Kumar*, S. B. Katti*

Department of Crystallography and Biophysics, University of Madras, Chennai, India
*Division of Polymers, Central Drug Research Insitute, Lucknow, India

Crystal and Molecular Structure of 3’- Deoxyguanosine-N(2)-isobutyryl Dihydrate

The crystal structure of the title compound has been determined from X- ray diffraction studies. The compound was crystallized from ethanol in the monoclinic system with the space group P21. The unit cell parameters are a = 9.650(2) Å, b = 6.505(2) Å, c = 14.251(2) Å and β = 93.70(2)°. The number of molecules in the unit cell Z = 2 and the volume of the cell is V = 892.7(4) Å3. The structure was determined by direct methods and refined to a final R(F) factor of 0.062. The glycosyl torsion angle about C(1’) – N(9) shows anti conformation. The furanose ring adopts C(3’) – endo puckering geometry.

Keywords: sugar modified nucleosides, X-ray structure, puckering, hydrogen bonds


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