Crystal Structure of Isoquinoline Derivatives

The chiral compound 5H-imidazol2,3-b]isoquinoline-1-ethanol-5-one-1,2, 3, 10b-tetrahydro- β(S)-phenyl-3(S)-phenyl was synthesized from the direct condensation of 2-cyanophenyacetonitrile with optically active (S)-(+)-2-phenylglycinol in chlorobenzene under dry, anaerobic conditions. ZnCl2 was used as a Lewis acid catalyst in this reaction, and the structure of this compound was determined by X-ray diffraction, NMR, MS and IR. Crystal data of the title compound: C25H22N2O2, Mr = 382.45, P 21 21 21, a = 5.341(5), b = 16.735(5), c = 22.129(5) , γ = 90o, V = 1978(2) 3, Z = 4, Dc = 1.284 g/cm3, the final R = 0.0321 for 2269 observed reflections with I > 2σ(I) and Rw = 0.0771 for all data.