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erythro-2-(2,6-Dimethoxy-4-methylphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,3-diol

Vratislav Langer (Institutionen för kemi- och bioteknik, Oorganisk miljökemi) ; Knut Lundquist (Institutionen för kemi- och bioteknik, Skogsindustriell kemiteknik) ; Gerhard E. Miksche
Acta Crystallographica, Section E: Structure Reports (1600-5368). Vol. E61 (2005), 4, p. o1001-o1003.
[Artikel, refereegranskad vetenskaplig]

In the title compound, C20H26O8, the molecules adopt a conformation in which the torsion angle C(aryl)-C-C-O(aryloxy) is -70.8(2)° and the torsion angle C(aryl)-O-C-C(benzylic) is -152.71(18)°, leading to a C(aryl)...C(aryl) distance of 4.426(3)Å. This distance is identical, within experimental error, to the calculated maximum value obtained when the torsion angle C(aryl)-O-C-C(benzylic) is varied and the torsion angle C(aryl)-C-C-O(aryloxy) is kept constant. The angle between the aromatic ring planes is 64.13(7)°. The conformation is compared with those of related lignin model compounds. The hydrogen-bonding pattern reveals intramolecular interactions, and the formation of centrosymmetric dimers and chains of molecules by intermolecular interactions.

Nyckelord: X-ray diffraction, conformation



Denna post skapades 2006-08-25.
CPL Pubid: 3903

 

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Institutioner (Chalmers)

Institutionen för kemi- och bioteknik, Oorganisk miljökemi (2005-2014)
Institutionen för kemi- och bioteknik, Skogsindustriell kemiteknik (2005-2014)

Ämnesområden

Kemi

Chalmers infrastruktur