threo-2-(2,6-Dimethoxyphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,3-diol: a conformational study
Journal article, 2005

In the crystal structure of the title compound, C19H24O8, the molecules adopt a conformation in which the bulky 2,6-dimethoxyphenoxy and 4-hydroxy-3,5-dimethoxyphenyl groups are almost as far apart as possible. The C(aryl)...C(aryl) distance is 4.8766(19)Å, which is close to the calculated maximum value (4.92Å). The C(aryl)-C-C-O(aryloxy) torsion angle is 173.76(11)° and the C(benzylic)-C-O-C(aryl) torsion angle is 149.09(11)°. The conformation is compared with those of related lignin model compounds. The hydrogen-bonding pattern is discussed in terms of graph-set theory.


X-ray diffraction


Knut Lundquist

Chalmers, Chemical and Biological Engineering, Forest Products and Chemical Engineering

Shiming Li

Chalmers, Chemical and Biological Engineering, Organic and Analytical Chemistry

Vratislav Langer

Chalmers, Chemical and Biological Engineering, Environmental Inorganic Chemistry

Acta Crystallographica Section C: Crystal Structure Communications

0108-2701 (ISSN) 1600-5759 (eISSN)

Vol. C61 4 o256-o258

Subject Categories

Chemical Sciences

More information