G. Argay, V. Fülöp, A. Kălmăn
Aug 10, 1995
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Journal
Journal of Molecular Structure
Abstract
Abstract The structure of 1-[bis(hydroxymethyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline has 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) A , V = 2752.5(2.4) A 3 , Z = 8, D c = 1.290 g cm −3 , and μ (CuK α ) = 0.735 mm −1 . The structure was solved by direct methods and refined to R = 0.068 for 1530 observed reflections. The dominantly 3 E conformation of the six-membered hetero ring is distorted towards the canonical forms 3 H 2 and 3 S 2 . The glide plane related molecules are linked together by two intermolecular hydrogen bonds of NH … O and OH … O type in the directions of the a and b axes.