4-Bromo-2,6-dimethylanilinium bromide monohydrate

In the title compound, C8H11BrN+·Br−·H2O, a network of N—H⋯O, N—H⋯Br and O—H⋯Br hydrogen bonds helps to consolidate the crystal packing.


Experimental
Crystal data
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: LW2046).
A network of intermolecular N-H···Br and O-H···Br hydrogen bonds helps to establish the crystal packing, Fig. 1 and

S2. Experimental
The title compound is synthesized according to the literature (Wakayama et al., 1998). Crystals of (I) suitable for X-ray diffraction were obtained by slow evaporation of an ethanol solution.

S3. Refinement
All H atoms bonded to the C atoms were placed geometrically at the distances of 0.93-0.96 Å and included in the refinement in riding motion approximation with U iso (H) = 1.2 or 1.5U eq of the carrier atom.  A view of the molecular structure of (I). Displacement ellipsoids are drawn at the 30% probability level The crystal structure of (I). where P = (F o 2 + 2F c 2 )/3 (Δ/σ) max < 0.001 Δρ max = 0.42 e Å −3 Δρ min = −0.52 e Å −3 Special details Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > σ(F 2 ) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.