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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.


Crystal packing diagram for (I) viewed approximately down b. All atoms are shown as small spheres of arbitrary radii. For the sake of clarity, H atoms not involved in hydrogen bonding have been omitted. Hydrogen bonding is indicated by dashed lines.
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Fap2: Crystal packing diagram for (I) viewed approximately down b. All atoms are shown as small spheres of arbitrary radii. For the sake of clarity, H atoms not involved in hydrogen bonding have been omitted. Hydrogen bonding is indicated by dashed lines.


Redetermination of 2,6-dimethoxy-benzoic acid.

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

Crystal packing diagram for (I) viewed approximately down b. All atoms are shown as small spheres of arbitrary radii. For the sake of clarity, H atoms not involved in hydrogen bonding have been omitted. Hydrogen bonding is indicated by dashed lines.
© Copyright Policy - open-access
Related In: Results  -  Collection

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

Fap2: Crystal packing diagram for (I) viewed approximately down b. All atoms are shown as small spheres of arbitrary radii. For the sake of clarity, H atoms not involved in hydrogen bonding have been omitted. Hydrogen bonding is indicated by dashed lines.
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.