Redetermination of 2,6-dimethoxy-benzoic acid.

ABSTRACT: The crystal structure of the title compound, C(9)H(10)O(4), was first reported by Swaminathan, Vimala & Lotter [Acta Cryst. (1976), B32, 1897-1900]. It has been re-examined, improving the precision of the derived geometric parameters. The asymmetric unit comprises a non-planar independent mol-ecule, as the meth-oxy substituents force the carb-oxy group to be twisted away from the plane of the aromatic ring by 56.12?(9)°. Due to the anti-planar conformation adopted by the OH group, the mol-ecular components do not form the conventional dimeric units, but are associated in the crystal in chains stabilized by linear O-H?O hydrogen bonds, involving the OH groups and the carbonyl O atoms, which form C(3) motifs.

SUBMITTER: Portalone G 

PROVIDER: S-EPMC2968263 | biostudies-other | 2009

REPOSITORIES: biostudies-other