2-Carboxyanilinium bromide monohydrate
نویسندگان
چکیده
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.
منابع مشابه
Bis(2-carboxyanilinium) sulfate monohydrate
In the title hydrated mol-ecular salt, 2C(7)H(8)NO(2) (+)·SO(4) (2-)·H(2)O, each cation in the asymmetric unit is stabilized by an intra-molecular N-H⋯O hydrogen bond. The O atoms of the sulfate ion are disordered over two sets of sites with an occupancy ratio of 0.541 (13):0.459 (13), which possibly optimizes the acceptance of N-H⋯O hydrogen bonds from the cations. The crystal structure also f...
متن کامل2-Carboxyanilinium chloride monohydrate
In the mol-ecule of the title compound, C(7)H(8)NO(2) (+)·Cl(-)·H(2)O, an intra-molecular N-H⋯O hydrogen bond results in the formation of a non-planar six-membered ring adopting a flattened boat conformation. In the crystal structure, inter-molecular O-H⋯O and N-H⋯Cl hydrogen bonds link the mol-ecules. There is a C=O⋯π contact between the carbonyl unit and the centroid of the benzene ring. Ther...
متن کاملATTENTION PHARMACISTS: Detach “Patient’s Instructions for Use” and dispense with the product
DESCRIPTION The active ingredient in ATROVENT (ipratropium bromide) Inhalation Aerosol is ipratropium bromide. It is an anticholinergic bronchodilator chemically described as 8azoniabicyclo[3.2.1]-octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(1methylethyl)-, bromide, monohydrate (endo,syn)-,(±): a synthetic quaternary ammonium compound chemically related to atropine. The structural fo...
متن کاملIdentification of Polymorphic Forms of Active Pharmaceutical Ingredient in Low-Concentration Dry Powder Formulations by Synchrotron X-Ray Powder Diffraction
BACKGROUND The identification of different (pseudo) polymorphs of an active pharmaceutical ingredient in dry powder formulations is of importance during development and entire product lifecycle, e.g., quality control. Whereas determination of polymorphic differences of pure substances is rather easy, in dry powder formulations, it is generally difficult and the difficulties increase particularl...
متن کامل1-Hexadecyl-3-methylimidazolium bromide monohydrate
In the crystal structure of the title compound, C(20)H(39)N(2) (+)·Br(-)·H(2)O, the 1-hexa-decyl-3-methyl-imidazolium cations are stacked along the b axis, forming channels parallel to [100] which are occupied by the bromide anions and water mol-ecules. The crystal is stabilized by O-H⋯Br, C-H⋯O and C-H⋯Br hydrogen-bonding inter-actions, generating a two-dimensional network.
متن کامل