Crystal Structure of 6-Benzylamino-9-[2-tetrahydropyranyl]-9H-purine

Abstract

C₁₇H₁₉O₂N₅ is monoclinic, P2₁/n. Unit-cell dimensions at 293 K are a = 10.802(1), b = 24.085(2), c = 12.933(1)Å, β = 106.119(6)°, V = 3232.4(6)ų, D_x = 1.271 g/cm³, and Z = 8. The R value is 0.068 for 3017 observed reflections. There are two independent molecules in the asymmetric unit, denoted by A and B. In A, the dihedral angle between the adenine moiety and the phenyl ring is 73.2(3)° [in B, the angle is 83.9(2)°]. For A, the tetrahydropyranyl ring adopts a half-chair conformation [for B, chair conformation]. The packing in the crystal is entirely due to van der Waals forces.