Crystal structure of 6-benzylamino-9-[2-tetrahydropyranyl]-9H-purine.
C17H19O2N5 is monoclinic, P2(1)/n. Unit-cell dimensions at 293 K are a = 10.802(1), b = 24.085(2), c = 12.933(1)A, beta = 106.119(6) degrees, V = 3232.4(6)A3, Dx = 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)degrees [in B, the angle is 83.9(2)degrees]. 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.
D018360:Crystallography, X-Ray; D003583:Cytokinins / Q000737:chemistry*; D015394:Molecular Structure; D010937:Plant Growth Regulators / Q000737:chemistry*; D011687:Purines / Q000737:chemistry*
C481301:6-benzylamino-9-(2-tetrahydropyranyl)-9H-purine; D003583:Cytokinins; D010937:Plant Growth Regulators; D011687:Purines