{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["65(Pt 2)"],"submitter":["Portalone G"],"pubmed_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."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o327-8"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC2968263"],"repository":["biostudies-literature"],"pubmed_title":["Redetermination of 2,6-dimethoxy-benzoic acid."],"pmcid":["PMC2968263"],"pubmed_authors":["Portalone G"],"additional_accession":[]},"is_claimable":false,"name":"Redetermination of 2,6-dimethoxy-benzoic acid.","description":"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.","dates":{"release":"2009-01-01T00:00:00Z","publication":"2009 Jan","modification":"2025-04-04T19:42:39.341Z","creation":"2019-03-27T00:00:05Z"},"accession":"S-EPMC2968263","cross_references":{"pubmed":["21581932"],"doi":["10.1107/S1600536809001408"]}}