STEREOSTRUCTURE OF THYL]-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE- AN X-RAY STUDY

The structure of thyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline ha s been established by X-ray crystallography from diffractometer data: it crystallizes in the orthorhombic space group Pbca with a = 9.623(3) , b = 7.411(2), c = 38.598(9) Angstrom, V = 2752.5(2.4) Angstrom(3), Z = 8, D-c = 1.290 g cm(-3), and mu(CuK alpha) = 0.735 mm(-1). The stru cture was solved by direct methods and refined to R = 0.068 for 1530 o bserved reflections. The dominantly (3)E conformation of the six-membe red hetero ring is distorted towards the canonical forms H-3(2) and S- 3(2). The glide plane related molecules are linked together by two int ermolecular hydrogen bonds of NH ... O and OH ... O type in the direct ions of the a and b axes.