THE X-RAY CRYSTAL AND MOLECULAR-STRUCTURE OF 5'-BROMO-5'-DEOXYTHYMIDINE

5'-Bromo-5'-deoxythymidine (1) crystallizes with four molecules in a m onoclinic unit cell of space group C2. The ribose ring adopts an envel ope conformation, transient between T-1(0) and E-0 (O4'-exo), with the C1' atom being in the flap position. In the crystal lattice, the mole cules are connected by intermolecular one-dimensional chains of hydrog en bondings from the hydroxyl hydrogen H3'(O3') to the carbonyl oxygen O4. The differences in conformation and a hydrogen-bonding system of 1 with comparison to the structure of thymidine are observed. (C) 1998 John Wiley & Sons, Inc.