2-Carboxy-anilinium bromide monohydrate.

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.

SUBMITTER: Susindran V 

PROVIDER: S-EPMC2972090 | biostudies-other | 2009

REPOSITORIES: biostudies-other