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Volume 67 
Part 5 
Page m638  
May 2011  

Received 8 March 2011
Accepted 4 April 2011
Online 29 April 2011

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Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.004 Å
R = 0.020
wR = 0.056
Data-to-parameter ratio = 13.0
Details
Open access

[2-Amino-4,6-bis(2-pyridyl)-1,3,5-triazine-[kappa]3N4,N5,N6]dichloridocadmium(II)

Man-Li Caoa* and Lei Shia

aDepartment of Chemistry, Guangdong University of Education, Guangzhou 510303, People's Republic of China
Correspondence e-mail: caoml@mail3.sysu.edu.cn

In the title compound, [CdCl2(C13H10N6)], the 2-amino-4,6-bis(pyridin-2-yl)-1,3,5-triazine (HABPT) ligand adopts a tridentate tripyridyl coordination mode. The CdII atom is five-coordinated by three N atoms from the HABPT ligand and two chloride ions. In the crystal, molecules are linked via N-H...N, N-H...Cl and C-H...Cl hydrogen bonds into a supramolecular network.

Related literature

For asymmetric ligands containing a triazine ring, see: Drew et al. (2000[Drew, M. G. B., Hudson, M. J., Iveson, P. B., Madic, C. & Russell, M. L. (2000). J. Chem. Soc. Dalton Trans. pp. 2711-2720.]); Boubals et al. (2002[Boubals, N., Drew, M. G. B., Hill, C., Hudson, M. J., Iveson, P. B., Madic, C., Russell, M. L. & Youngs, T. G. A. (2002). J. Chem. Soc. Dalton Trans. pp. 55-62.]); Medlycott et al. (2007[Medlycott, E. A., Udachin, K. A. & Hanan, G. S. (2007). Dalton Trans. pp. 430-438.]); Chi et al. (2006[Chi, Y.-N., Huang, K.-L., Cui, F.-Y., Xu, Y.-Q. & Hu, C.-W. (2006). Inorg. Chem. 45, 10605-10612.]); Cao et al. (2008[Cao, M.-L., Hao, H.-G., Zhang, W.-X. & Ye, B.-H. (2008). Inorg. Chem. 47, 8126-8133.], 2009[Cao, M.-L., Hao, H.-G. & Ye, B.-H. (2009). Cryst. Growth Des. 9, 546-554.]). For the synthesis of the HABPT ligand, see: Case & Koft (1959[Case, F. H. & Koft, E. (1959). J. Am. Chem. Soc. 81, 905-906.]). For metal complexes of the HABPT ligand, see: Drew et al. (2000[Drew, M. G. B., Hudson, M. J., Iveson, P. B., Madic, C. & Russell, M. L. (2000). J. Chem. Soc. Dalton Trans. pp. 2711-2720.]); Boubals et al. (2002[Boubals, N., Drew, M. G. B., Hill, C., Hudson, M. J., Iveson, P. B., Madic, C., Russell, M. L. & Youngs, T. G. A. (2002). J. Chem. Soc. Dalton Trans. pp. 55-62.]); Cao et al. (2009[Cao, M.-L., Hao, H.-G. & Ye, B.-H. (2009). Cryst. Growth Des. 9, 546-554.]). For the diverse coordination modes of rigid multidentate polypyridyl ligands containing a triazine ring as a bridge, see: Zhou, Li, Wu & Zhang (2006[Zhou, X.-P., Li, D., Wu, T. & Zhang, X. (2006). Dalton Trans. pp. 2435-2443.]); Zhou, Li, Zheng, Zhang & Wu (2006[Zhou, X.-P., Li, D., Zheng, S.-L., Zhang, X. & Wu, T. (2006). Inorg. Chem. 45, 7119-7125.]).

[Scheme 1]

Experimental

Crystal data

  • [CdCl2(C13H10N6)]

  • Mr = 433.58

  • Triclinic, [P \overline 1]

  • a = 8.8750 (6) Å

  • b = 9.2010 (7) Å

  • c = 10.2677 (7) Å

  • [alpha] = 82.5151 (9)°

  • [beta] = 65.636 (1)°

  • [gamma] = 82.798 (1)°

  • V = 754.89 (9) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.80 mm-1

  • T = 293 K

  • 0.34 × 0.31 × 0.28 mm
Data collection

  • Bruker SMART APEX CCD detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2005[Bruker (2005). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.581, Tmax = 0.636

  • 5102 measured reflections

  • 2588 independent reflections

  • 2499 reflections with I > 2[sigma](I)

  • Rint = 0.014
Refinement

  • R[F2 > 2[sigma](F2)] = 0.020

  • wR(F2) = 0.056

  • S = 1.01

  • 2588 reflections

  • 199 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.28 e Å-3

  • [Delta][rho]min = -0.30 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N6-H6A...N3i 0.91 2.31 3.183 (3) 162
N6-H6B...Cl2ii 0.91 2.45 3.334 (2) 165
C12-H12A...Cl1iii 0.97 2.76 3.671 (2) 158
C2-H2A...Cl1iv 0.97 2.75 3.705 (3) 166
C11-H11A...Cl2v 0.97 2.82 3.596 (2) 138
Symmetry codes: (i) -x, -y+2, -z+1; (ii) -x, -y+1, -z+1; (iii) -x, -y, -z+2; (iv) -x+1, -y+1, -z+2; (v) x-1, y, z.

Data collection: SMART (Bruker, 2005[Bruker (2005). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2005[Bruker (2005). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: ZQ2094 ).

Acknowledgements

This work was supported by the National Natural Science Foundation of China (21001031) and the special research fund for PhDs of Guangdong University of Education (10ARF05).

References

Boubals, N., Drew, M. G. B., Hill, C., Hudson, M. J., Iveson, P. B., Madic, C., Russell, M. L. & Youngs, T. G. A. (2002). J. Chem. Soc. Dalton Trans. pp. 55-62.
Bruker (2005). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Cao, M.-L., Hao, H.-G. & Ye, B.-H. (2009). Cryst. Growth Des. 9, 546-554.  [ChemPort]
Cao, M.-L., Hao, H.-G., Zhang, W.-X. & Ye, B.-H. (2008). Inorg. Chem. 47, 8126-8133.  [PubMed] [ChemPort]
Case, F. H. & Koft, E. (1959). J. Am. Chem. Soc. 81, 905-906.  [CrossRef] [ChemPort]
Chi, Y.-N., Huang, K.-L., Cui, F.-Y., Xu, Y.-Q. & Hu, C.-W. (2006). Inorg. Chem. 45, 10605-10612.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Drew, M. G. B., Hudson, M. J., Iveson, P. B., Madic, C. & Russell, M. L. (2000). J. Chem. Soc. Dalton Trans. pp. 2711-2720.
Medlycott, E. A., Udachin, K. A. & Hanan, G. S. (2007). Dalton Trans. pp. 430-438.  [CSD] [CrossRef]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Zhou, X.-P., Li, D., Wu, T. & Zhang, X. (2006). Dalton Trans. pp. 2435-2443.
Zhou, X.-P., Li, D., Zheng, S.-L., Zhang, X. & Wu, T. (2006). Inorg. Chem. 45, 7119-7125.  [ISI] [PubMed] [ChemPort]

Acta Cryst (2011). E67, m638  [ doi:10.1107/S1600536811012517 ]

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