Crystal and Molecular Structure of 3'‐ Deoxyguanosine‐N(2)‐isobutyryl Dihydrate

Abstract 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 P2 1 . 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) Å 3 . 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.