(3-Anilino-1-phenyliminothioureato)chloridodimethyltin(IV)

In the title compound, [Sn(CH3)2(C13H11N4S)Cl], the Sn atom is five-coordinated in a distorted trigonal-bipyramidal geometry, with two methyl groups and one S atom in the equatorial plane, and one N atom and the Cl atom occupying the apical positions.

In the title compound, [Sn(CH 3 ) 2 (C 13 H 11 N 4 S)Cl], the Sn atom is five-coordinated in a distorted trigonal-bipyramidal geometry, with two methyl groups and one S atom in the equatorial plane, and one N atom and the Cl atom occupying the apical positions.

S1. Comment
The interest in the synthesis of new organotin derivatives is related to the diversity of structures that such compounds can form, and on the other side, to their biological and pharmaceutical applications (Davies & Smith, 1982,Okio et al., 2003Diop et al., 2003). We report here the crystal structure of the title compound (I). The structure consists of discrete molecules (Fig.1).The Sn atom is five-coordinate in a distorted trigonal-bipyramidal geometry. The distorted trigonalbipyramidal coordination polyhedron has two methyl groups and one S atom in the equatorial plane, the N1 and Cl atom hemihydrate ( Labib et al.,1996), while the Sn-N and Sn-C bonds are longer than the corresponding ones reported for the same previous compound, (2.359 (4) Å, 2.108 (7) Å and 2.105 (7) Å), as representative example.

S3. Refinement
H atoms were positioned geometrically, with C-H distances in the range 0.95 -0.98 Å, and constrained to ride on their parent atoms, with U iso (H) = 1.2-1.5U eq (C). H atom bonded to N4 was found in difference maps and positioned geometrically (N4-H = 0.88 Å) and was refined with a riding model, with U iso (H) = 1.2U eq (C).  The molecular structure of (I), with the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. H atoms have been omitted.

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å 2 )
x y z U iso */U eq  (7)