{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["65(Pt 12)"],"submitter":["Susindran V"],"pubmed_abstract":["The title compound, C(7)H(8)NO(2) (+)·Br(-)·H(2)O, is isomorphous with 2-carboxy-anilinium chloride monohydrate and contains an intra-molecular N-H⋯O hydrogen bond, forming an S(6) motif. The main inter-molecular inter-actions are of the N-H⋯O/Br and O-H⋯O/Br types. Hydrogen-bonding dimers are formed via the carboxyl groups and the uncoordinated water mol-ecule, with centrosymmetric R(4) (4)(12) ring motifs, in tandem with centrosymmetric R(8) (4)(16) ring motifs formed by the cations and bromide anions. The hydrogen-bonded ring motifs inter-sect, forming chains with graph-set motif C(4) (3)(10) extending along the a axis. These form a two-dimensional hydrogen-bonded network in (101) which is extended along [010] through N-H⋯Br hydrogen bonds. Hydro-philic layers are generated at z = 0 and 1/2 which are sandwiched between alternate hydro-phobic layers across z = 1/4 and 3/4."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o3247-8"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC2972090"],"repository":["biostudies-literature"],"pubmed_title":["2-Carboxy-anilinium bromide monohydrate."],"pmcid":["PMC2972090"],"pubmed_authors":["Susindran V","Sridhar B","Athimoolam S","Bahadur SA"],"additional_accession":[]},"is_claimable":false,"name":"2-Carboxy-anilinium bromide monohydrate.","description":"The title compound, C(7)H(8)NO(2) (+)·Br(-)·H(2)O, is isomorphous with 2-carboxy-anilinium chloride monohydrate and contains an intra-molecular N-H⋯O hydrogen bond, forming an S(6) motif. The main inter-molecular inter-actions are of the N-H⋯O/Br and O-H⋯O/Br types. Hydrogen-bonding dimers are formed via the carboxyl groups and the uncoordinated water mol-ecule, with centrosymmetric R(4) (4)(12) ring motifs, in tandem with centrosymmetric R(8) (4)(16) ring motifs formed by the cations and bromide anions. The hydrogen-bonded ring motifs inter-sect, forming chains with graph-set motif C(4) (3)(10) extending along the a axis. These form a two-dimensional hydrogen-bonded network in (101) which is extended along [010] through N-H⋯Br hydrogen bonds. Hydro-philic layers are generated at z = 0 and 1/2 which are sandwiched between alternate hydro-phobic layers across z = 1/4 and 3/4.","dates":{"release":"2009-01-01T00:00:00Z","publication":"2009 Nov","modification":"2025-04-04T21:04:27.022Z","creation":"2019-03-27T00:36:19Z"},"accession":"S-EPMC2972090","cross_references":{"pubmed":["21578947"],"doi":["10.1107/S1600536809050235"]}}