{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["67(Pt 4)"],"submitter":["Berrah F"],"pubmed_abstract":["In the title compound, 2C(6)H(7)N(2)O(2) (+)·SO(4) (2-)·3H(2)O, there are two independent cations which are connected into N-H⋯O hydrogen-bonded dimers. In the crystal, O-H⋯O hydrogen-bonded sulfate-water sheets run parallel to (001) and are linked into a three-dimensional network via inter-molecular N-H⋯O and O-H⋯O hydrogen bonds through the 2-amino-nicotinium dimers. Further stabilization is provided by weak inter-molecular C-H⋯O hydrogen bonds. R(4) (3)(10) and R(2) (2)(8) graph-set rings are observed. The crystal studied was an inversion twin with refined components of 0.45 (6) and 0.55 (6)."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o953-4"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3099893"],"repository":["biostudies-literature"],"pubmed_title":["Bis(2-amino-3-carb-oxy-pyridinium) sulfate trihydrate."],"pmcid":["PMC3099893"],"pubmed_authors":["Roisnel T","Bouacida S","Ouakkaf A","Berrah F"],"additional_accession":[]},"is_claimable":false,"name":"Bis(2-amino-3-carb-oxy-pyridinium) sulfate trihydrate.","description":"In the title compound, 2C(6)H(7)N(2)O(2) (+)·SO(4) (2-)·3H(2)O, there are two independent cations which are connected into N-H⋯O hydrogen-bonded dimers. In the crystal, O-H⋯O hydrogen-bonded sulfate-water sheets run parallel to (001) and are linked into a three-dimensional network via inter-molecular N-H⋯O and O-H⋯O hydrogen bonds through the 2-amino-nicotinium dimers. Further stabilization is provided by weak inter-molecular C-H⋯O hydrogen bonds. R(4) (3)(10) and R(2) (2)(8) graph-set rings are observed. The crystal studied was an inversion twin with refined components of 0.45 (6) and 0.55 (6).","dates":{"release":"2011-01-01T00:00:00Z","publication":"2011 Apr","modification":"2025-04-04T23:27:05.171Z","creation":"2019-03-26T23:59:22Z"},"accession":"S-EPMC3099893","cross_references":{"pubmed":["21754219"],"doi":["10.1107/S1600536811010191"]}}