Dimethylammonium bis(4-methylmorpholin-4-ium) tetrachloridozincate

The title compound, (C2H8N)(C5H12NO)[ZnCl4], was synthesized by hydrothermal reaction of ZnCl2 with 4-methylmorpholine in a dimethylformamide solution. The asymmetric unit is composed of half a [ZnCl4]2− anion, half a 4-methylmorpholin-4-ium cation and half a dimethylammonium cation, all located on mirror planes parallel to ac. All the amine H atoms are involved in intermolecular N—H⋯Cl hydrogen bonds, building up an infinite chain parallel to the c axis.

The title compound, (C 2 H 8 N)(C 5 H 12 NO) [ZnCl 4 ], was synthesized by hydrothermal reaction of ZnCl 2 with 4-methylmorpholine in a dimethylformamide solution. The asymmetric unit is composed of half a [ZnCl 4 ] 2À anion, half a 4methylmorpholin-4-ium cation and half a dimethylammonium cation, all located on mirror planes parallel to ac. All the amine H atoms are involved in intermolecular N-HÁ Á ÁCl hydrogen bonds, building up an infinite chain parallel to the c axis.

Comment
The amino derivatives have found wide range of applications in material science, such as magnetic, fluorescent and dielectric behaviors. And there has been an increased interest in the preparation of amino coordination compound (Aminabhavi et al., 1986;Dai & Fu 2008a;Dai & Fu 2008b;Fu, et al. 2009). We report here the crystal structure of the title compound, The asymmetric unit is composed of half ZnCl 4 2anion, half 4-methylmorpholin-4-ium cation and half dimethylammonium cation (Fig.1). The molecules are located in the ac mirror. The geometric parameters of the title compound are in the normal range.
In the crystal structure, all the H atoms of amine groups are involved in intermolecular N-H···Cl hydrogen bonds building up an infinite one-dimensional chain parallel to the c-axis (Table 1 and Fig.2).
Colorless block crystals suitable for X-ray analysis were obtained after 3 days (yield 31%, based on 4-methylmorpholine).

Refinement
All H atoms attached to C and N atoms were fixed geometrically and treated as riding with C-H = 0.97 Å(methylene), and C-H = 0.96 Å(methyl) N-H = 0.86 Å, with U iso (H) = 1.2U eq (methylene or N) and U iso (H) = 1.5U eq (methyl). Fig. 1. Molecular view of the title compound with the atomic numbering scheme. Displacement ellipsoids are drawn at the 30% probability level.

Special details
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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 > 2sigma(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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å 2 )
x y z U iso */U eq  (4)