Bis(2-amino-4-methyl-1,3-thia­zole-κN3)dichloridocadmium(II)

Zhang, L.-J.; Shen, X.-C.; Liang, H.

doi:10.1107/S1600536808027864

Volume 64
Part 10
Page m1248
October 2008

Received 16 August 2008
Accepted 31 August 2008
Online 6 September 2008

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.006 Å
R = 0.028
wR = 0.064
Data-to-parameter ratio = 16.6
Details

Bis(2-amino-4-methyl-1,3-thiazole-N³)dichloridocadmium(II)

Lai-Jun Zhang,^a,^b ^* Xing-Can Shen ^b and Hong Liang ^b

^aDepartment of Chemistry, Shangrao Normal University, Shangrao 334001, People's Republic of China, and ^bKey Laboratory of Medicinal Chemical Resources and Molecular Engineering, Department of Chemistry and Chemical Engineering, Guangxi Normal University, Guilin 541004, People's Republic of China
Correspondence e-mail: ljzhang@sru.jx.cn

In the title compound, [CdCl₂(C₄H₆N₂S)₂], the Cd^II atom is coordinated by two chlorido ligands and two N atoms of the 2-amino-5-methyl-1,3-thiazole (amtz) ligands in a slightly distorted tetrahedral coordination geometry. Intra- and intermolecular N-HCl hydrogen bonding stabilizes the crystal structure. A weak SCl interaction [3.533 (2) Å] is observed between neighboring molecules.

Related literature

For general background, see: Bolos et al. (1999); Miodragovic et al. (2006); Cini et al. (2007); Dea et al. (2008); Shen et al. (2008). For a related structure, see: Cai et al. (2008).

Experimental

Crystal data

[CdCl₂(C₄H₆N₂S)₂]
M_r = 411.67
Monoclinic, P 2₁ /n
a = 8.7100 (17) Å
b = 13.190 (3) Å
c = 12.740 (3) Å
= 95.19 (3)°
V = 1457.6 (6) Å³
Z = 4
Mo K radiation
= 2.13 mm^-1
T = 293 (2) K
0.40 × 0.25 × 0.23 mm

Data collection

Bruker APEXII CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2001) T_min = 0.442, T_max = 0.612
7630 measured reflections
2595 independent reflections
2113 reflections with I > 2(I)
R_int = 0.027

Refinement

R[F² > 2(F²)] = 0.027
wR(F²) = 0.064
S = 0.98
2595 reflections
156 parameters
H-atom parameters constrained
_max = 0.41 e Å^-3
_min = -0.39 e Å^-3

Table 1
Selected geometric parameters (Å, °)

Cd1-N2	2.246 (3)
Cd1-N1	2.248 (3)
Cd1-Cl1	2.4181 (10)
Cd1-Cl2	2.4387 (11)

N2-Cd1-N1	99.70 (11)
N2-Cd1-Cl1	106.53 (8)
N1-Cd1-Cl1	116.26 (8)
N2-Cd1-Cl2	114.38 (8)
N1-Cd1-Cl2	107.19 (8)
Cl1-Cd1-Cl2	112.34 (4)

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N3-H3ACl2	0.86	2.49	3.322 (4)	164
N3-H3BCl1ⁱ	0.86	2.70	3.343 (3)	133
N4-H4ACl1	0.86	2.44	3.276 (4)	165
N4-H4BCl2ⁱⁱ	0.86	2.52	3.325 (3)	157
Symmetry codes: (i) x-1, y, z; (ii) $[x+{\script{1\over 2}}, -y+{\script{3\over 2}}, z-{\script{1\over 2}}]$ .

Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT-Plus (Bruker, 2001); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: XU2449 ).

Acknowledgements

The authors thank Dr Shu-Hua Zhang for helpful discussions and acknowledge funding from the National Natural Science Foundation of China (No. 20701010),the Natural Science Foundation of Guangxi Province (No. 0728094) and the Science and Technology Project of the Department of Education of Jiangxi Province [No. (2007)348].

References

Bolos, C. A., Fanourgakis, P. V., Christidis, P. C. & Nikolov, G. S. (1999). Polyhedron, 18, 1661-1668.
Bruker (2001). SAINT-Plus and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2004). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.
Cai, X.-W., Zhao, Y.-Y. & Han, G.-F. (2008). Acta Cryst. E64, m1012.
Cini, R., Tamasi, G., Defazio, S. & Hursthouse, M. B. (2007). J. Inorg. Biochem. 101, 1140-1152.
Dea, S., Adhikari, S., Tilak-Jain, J., Menon, V. P. & Devasagayam, T. P. A. (2008). Chem. Biol. Interact. 173, 215-223.
Miodragovic, D. U., Bogdanovic, G. A., Miodragovic, Z. M., Radulovic, M.-D., Novakovic, S. B., Kaluderovic, G. N. & Kozlowski, H. (2006). J. Inorg. Biochem. 100, 1568-1574.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Shen, L., Zhang, Y., Wang, A., Sieber-McMaster, E., Chen, X., Pelton, P., Xu, J. Z., Yang, M., Zhu, P., Zhou, L., Reuman, M., Hu, Z., Russell, R., Gibbs, A. C., Ross, H., Demarest, K., Murray, W. V. & Kuo, G.-H. (2008). Bioorg. Med. Chem. 16, 3321-3341.

metal-organic compounds

Bis(2-amino-4-methyl-1,3-thiazole-N3)dichloridocadmium(II)