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Volume 69 
Part 10 
Page m536  
October 2013  

Received 10 August 2013
Accepted 3 September 2013
Online 7 September 2013

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.006 Å
R = 0.033
wR = 0.077
Data-to-parameter ratio = 17.1
Details
Open access

Dibromidobis(2-methyl-1H-benzimidazole-[kappa]N3)cadmium

aKey Laboratory of Advanced Materials, Qingdao University of Science and Technology, Qingdao 266042, People's Republic of China
Correspondence e-mail: qdplastics@163.com

In the title compound, [CdBr2(C8H8N2)2], the CdII atom has a distorted tetrahedral coordination formed by the two imino N atoms of two 2-methylbenzimidazole ligands and two terminal bromide ligands. The CdII atom is slightly out of the benzimidazole planes by 0.320 (3) and 0.210 (3) Å. The dihedral angle between the benzimidazole planes is 71.6 (2)°. In the crystal, molecules are linked by N-H...Br hydrogen bonds into puckered layers parallel to (001).

Related literature

For background to benzimidazole, see: Roderick et al. (1972[Roderick, W. R., Nordeen, C. W., Von Esch, A. M. & Appell, R. N. J. (1972). J. Med. Chem. 15, 655-658.]). For related crystal structures, see: Barros-García et al. (2005[Barros-García, F. J., Bermalte-García, A., Luna-Giles, F., Maldonado-Rogado, M. A. & Viñuelas-Zahínos, E. (2005). Polyhedron, 24, 1764-1772.]); Wang et al. (2010[Wang, X., Li, Y.-X., Liu, Y.-J., Yang, H.-X. & Zhang, C.-C. (2010). Acta Cryst. E66, m1207.]); Yang et al. (2011[Yang, H.-X., Wang, X., Xie, C.-X., Li, X.-F. & Liu, Y.-J. (2011). Acta Cryst. E67, m1149.]).

[Scheme 1]

Experimental

Crystal data
  • [CdBr2(C8H8N2)2]

  • Mr = 536.54

  • Monoclinic, P 21 /c

  • a = 10.007 (9) Å

  • b = 14.747 (12) Å

  • c = 12.399 (11) Å

  • [beta] = 93.088 (14)°

  • V = 1827 (3) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 5.57 mm-1

  • T = 296 K

  • 0.22 × 0.18 × 0.16 mm

Data collection
  • Rigaku R-AXIS Spider diffractometer

  • Absorption correction: multi-scan (ABSCOR; Higashi, 1995[Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.374, Tmax = 0.469

  • 9698 measured reflections

  • 3585 independent reflections

  • 2748 reflections with I > 2[sigma](I)

  • Rint = 0.032

Refinement
  • R[F2 > 2[sigma](F2)] = 0.033

  • wR(F2) = 0.077

  • S = 1.00

  • 3585 reflections

  • 210 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.39 e Å-3

  • [Delta][rho]min = -1.02 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N2-H2...Br1i 0.86 2.88 3.495 (4) 130
N4-H4...Br2ii 0.86 2.77 3.563 (4) 155
Symmetry codes: (i) [-x+1, y-{\script{1\over 2}}, -z+{\script{3\over 2}}]; (ii) [-x, y-{\script{1\over 2}}, -z+{\script{3\over 2}}].

Data collection: RAPID-AUTO (Rigaku, 2004[Rigaku (2004). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.]); cell refinement: RAPID-AUTO; data reduction: RAPID-AUTO; program(s) used to solve structure: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); 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: KQ2008 ).


Acknowledgements

This work was supported by the NSF of Shandong Province (No. 2009ZRA02071), the Scientific Development Plan of Universities in Shandong Province (No. J09LB53) and the Doctoral Science Foundation of QUST.

References

Barros-García, F. J., Bermalte-García, A., Luna-Giles, F., Maldonado-Rogado, M. A. & Viñuelas-Zahínos, E. (2005). Polyhedron, 24, 1764-1772.
Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Rigaku (2004). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan.
Roderick, W. R., Nordeen, C. W., Von Esch, A. M. & Appell, R. N. J. (1972). J. Med. Chem. 15, 655-658.  [CrossRef] [ChemPort] [PubMed] [Web of Science]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Wang, X., Li, Y.-X., Liu, Y.-J., Yang, H.-X. & Zhang, C.-C. (2010). Acta Cryst. E66, m1207.  [CSD] [CrossRef] [IUCr Journals]
Yang, H.-X., Wang, X., Xie, C.-X., Li, X.-F. & Liu, Y.-J. (2011). Acta Cryst. E67, m1149.  [CSD] [CrossRef] [IUCr Journals]


Acta Cryst (2013). E69, m536  [ doi:10.1107/S1600536813024549 ]

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