threo-2-(2,6-dimethoxyphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,3-diol: a conformational study.
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) A, which is close to the calculated maximum value (4.92 A). The C(aryl)-C-C-O(aryloxy) torsion angle is 173.76 (11) degrees and the C(benzylic)-C-O-C(aryl) torsion angle is 149.09 (11) degrees. The conformation is compared with those of related lignin model compounds. The hydrogen-bonding pattern is discussed in terms of graph-set theory.
Lundquist
Knut
K
Department of Forest Products and Chemical Engineering, Chalmers University of Technology, SE-41296 Göteborg, Sweden.
Li
Shiming
S
Langer
Vratislav
V
D018360:Crystallography, X-Ray; D004987:Ethers / Q000737:chemistry; D006860:Hydrogen Bonding; D008031:Lignin / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D011409:Propylene Glycols / Q000737:chemistry*
D004987:Ethers; D011409:Propylene Glycols; D008031:Lignin