Limits...
Redetermination of 2,6-dimethoxy-benzoic acid.

Portalone G - Acta Crystallogr Sect E Struct Rep Online (2009)

Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

Affiliation: Chemistry Department, "Sapienza" University of Rome, P.le A. Moro, 5, I-00185 Rome, Italy.

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.

No MeSH data available.


The molecular structure of (I) showing the atom-labelling scheme. Displacements ellipsoids are at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
getmorefigures.php?uid=PMC2968263&req=5

Fap1: The molecular structure of (I) showing the atom-labelling scheme. Displacements ellipsoids are at the 50% probability level.


Redetermination of 2,6-dimethoxy-benzoic acid.

Portalone G - Acta Crystallogr Sect E Struct Rep Online (2009)

The molecular structure of (I) showing the atom-labelling scheme. Displacements ellipsoids are at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2968263&req=5

Fap1: The molecular structure of (I) showing the atom-labelling scheme. Displacements ellipsoids are at the 50% probability level.
Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

Affiliation: Chemistry Department, "Sapienza" University of Rome, P.le A. Moro, 5, I-00185 Rome, Italy.

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.

No MeSH data available.