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

Artikel i vetenskaplig tidskrift, 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.