<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>65(Pt 12)</volume><submitter>Susindran V</submitter><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.</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>o3247-8</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC2972090</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>2-Carboxy-anilinium bromide monohydrate.</pubmed_title><pmcid>PMC2972090</pmcid><pubmed_authors>Susindran V</pubmed_authors><pubmed_authors>Sridhar B</pubmed_authors><pubmed_authors>Athimoolam S</pubmed_authors><pubmed_authors>Bahadur SA</pubmed_authors></additional><is_claimable>false</is_claimable><name>2-Carboxy-anilinium bromide monohydrate.</name><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.</description><dates><release>2009-01-01T00:00:00Z</release><publication>2009 Nov</publication><modification>2025-04-04T21:04:27.022Z</modification><creation>2019-03-27T00:36:19Z</creation></dates><accession>S-EPMC2972090</accession><cross_references><pubmed>21578947</pubmed><doi>10.1107/S1600536809050235</doi></cross_references></HashMap>