2,5-Dimethylanilinium chloride monohydrate

In the title compound, C8H12N+·Cl−·H2O, the crystal packing is influenced by O—H⋯Cl, N—H⋯Cl and N—H⋯O hydrogen bonds, resulting in a two-dimensional network propagating parallel to (001).


Experimental
Crystal data

Comment
The preparation of inorganic anion and organic cation salts continues to be a focus area in chemistry and material science because of their abilities to combine the properties of organic and inorganic compounds within one single molecular scale, so as to exhibit some interesting crystal structure and some special properties, such as second-order nonlinear optical response, magnetism, luminescence, and even multifunctional properties (Masse et al., 1993). It is therefore vital to design and synthesize novel salts with inorganic anions and organic cations so as to explore their various properties. In this context, we report the synthesis and the crystal structure of a the title compound, (I), (Fig. 1). The crystal packing can be described as a typical layered organization. A projection of such a layer shows that the Clanions are linked to the water molecules by O-H···Cl hydrogen bonds to form infinite corrugated chains along the b direction (Fig. 2). These chains are themselves connected via N-H···O and N-H···Cl hydrogen bonds originating from NH 3 + groups, so as to built inorganic layers spreading around the (a,b) plane. The 2,5-xylidinium cations are anchored onto the successive inorganic layers via hydrogen bonds and electrostatic interactions, to compensate their negative charges.
The examination of the organic cation shows that the values of the N-C, C-C distances and N-C-C, C-C-C angles range from 1.376 (3)  difference from those obtained in other organic materials associated with the same organic groups (Aloui et al., 2006). Waals, and electrostatic) form a stable three-dimensional network.

Experimental
The title compound was prepared by slow addition, at room temperature, of an aqueous hydrochloric acid solution to an alcoholic solution of 2,5-xylidine in a 1:1 molar ratio. A crystalline precipitate was formed. After dissolution by adding H 2 O, the solution was slowly evaporated at room temperature over several days resulting in the formation of transparent plates of (I).

Refinement
The water H atoms were located in a difference map and freely refined. The other H atoms were positioned geometrically (N-H = 0.89, C-H = 0.93-0.96 Å) and refined as riding with U iso (H) = 1.2U eq (C,N) or 1.5U eq (methyl C).  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 Rfactors(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.
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å 2 )