Stereostructure of 1-[bis(hydroxymethyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin e. An X-ray study

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Abstract

The structure of 1-[bis(hydroxymethyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin e 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, Dc = 1.290 g cm-3, and μ(CuKα) = 0.735 mm-1. The structure was solved by direct methods and refined to R = 0.068 for 1530 observed reflections. The dominantly 3E conformation of the six-membered hetero ring is distorted towards the canonical forms 3H2 and 3S2. 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.

Original languageEnglish
Pages (from-to)233-236
Number of pages4
JournalJournal of Molecular Structure
Volume354
Issue number3
DOIs
Publication statusPublished - Aug 10 1995

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ASJC Scopus subject areas

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry
  • Inorganic Chemistry

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