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Volume 69 
Part 5 
Page m241  
May 2013  

Received 19 March 2013
Accepted 26 March 2013
Online 5 April 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.006 Å
R = 0.057
wR = 0.108
Data-to-parameter ratio = 14.2
Details
Open access

Dichloridobis{2-[(1H-1,2,4-triazol-1-yl)methyl]-1H-benzimidazole-[kappa]N3}zinc(II)

aPharmacy College, Henan University of Traditional Chinese Medicine, Zhengzhou 450008, People's Republic of China
Correspondence e-mail: yanghuaixia886@163.com

In the title complex, [ZnCl2(C10H9N5)2], the ZnII ion is coordinated by two N atoms from two 2-[(1H-1,2,4-triazol-1-yl)methyl]-1H-benzimidazole (tmb) ligands and by two chloride ligands in a slightly distorted tetrahedral geometry. In the tmb ligands, the benzimidazole rings systems are essentially planar, with maximum deviations from the mean plane of 0.021 (3) and 0.030 (3) Å, and form dihedral angles of 73.2 (2) and 83.5 (2)° with the triazole rings. In the crystal, N-H...N hydrogen bonds link complex molecules into chains along [010]. In addition, weak C-H...Cl and C-H...N hydrogen bonds complete a three-dimensional network. Two weak intramolecular C-H...Cl hydrogen bonds are also observed.

Related literature

For background to complexes based on the 2-[(1H-1,2,4-triazol-1-yl)methyl]-1H-benzimidazole (tmb) ligand, see: Jin et al. (2012[Jin, G.-H., Yang, Y., Zhou, X.-L. & Meng, X.-R. (2012). Z. Naturforsch. Teil B, 67, 29-35.]); Wang et al. (2012[Wang, X.-X., Han, X., Qiao, Z., Jin, G.-H. & Meng, X.-R. (2012). Z. Naturforsch. Teil B, 67, 783-790.]).

[Scheme 1]

Experimental

Crystal data
  • [ZnCl2(C10H9N5)2]

  • Mr = 534.73

  • Monoclinic, P 21 /c

  • a = 11.571 (2) Å

  • b = 14.109 (3) Å

  • c = 16.357 (6) Å

  • [beta] = 121.03 (2)°

  • V = 2288.2 (10) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.34 mm-1

  • T = 293 K

  • 0.18 × 0.17 × 0.08 mm

Data collection
  • Rigaku Saturn diffractometer

  • Absorption correction: multi-scan (CrystalClear; Rigaku/MSC, 2004[Rigaku/MSC (2004). CrystalClear. Rigaku/MSC Inc., The Woodlands, Texas, USA.]) Tmin = 0.795, Tmax = 0.901

  • 15780 measured reflections

  • 4234 independent reflections

  • 3396 reflections with I > 2[sigma](I)

  • Rint = 0.054

Refinement
  • R[F2 > 2[sigma](F2)] = 0.057

  • wR(F2) = 0.108

  • S = 1.13

  • 4234 reflections

  • 298 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.29 e Å-3

  • [Delta][rho]min = -0.37 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N2-H2B...N5i 0.86 2.04 2.899 (4) 177
N7-H7B...N10ii 0.86 1.96 2.814 (4) 172
C3-H3B...Cl1 0.97 2.83 3.641 (4) 142
C13-H13B...Cl1 0.97 2.73 3.628 (4) 154
C2-H2A...Cl1iii 0.93 2.77 3.596 (4) 148
C13-H13A...N4iv 0.97 2.62 3.261 (5) 124
C18-H18A...Cl1v 0.93 2.81 3.635 (4) 149
Symmetry codes: (i) -x+1, -y, -z+1; (ii) -x+1, -y+1, -z+1; (iii) [x, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]; (iv) [-x+1, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]; (v) [x+1, -y+{\script{1\over 2}}, z+{\script{1\over 2}}].

Data collection: CrystalClear (Rigaku/MSC, 2004[Rigaku/MSC (2004). CrystalClear. Rigaku/MSC Inc., The Woodlands, Texas, USA.]); cell refinement: CrystalClear; data reduction: CrystalClear; 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: publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: LH5599 ).


Acknowledgements

The study was supported by the Science and Technology Department of Henan Province (grant No. 082102330003).

References

Jin, G.-H., Yang, Y., Zhou, X.-L. & Meng, X.-R. (2012). Z. Naturforsch. Teil B, 67, 29-35.  [CSD] [CrossRef] [ChemPort]
Rigaku/MSC (2004). CrystalClear. Rigaku/MSC Inc., The Woodlands, Texas, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [details]
Wang, X.-X., Han, X., Qiao, Z., Jin, G.-H. & Meng, X.-R. (2012). Z. Naturforsch. Teil B, 67, 783-790.  [CrossRef] [ChemPort]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [ISI] [CrossRef] [ChemPort] [details]


Acta Cryst (2013). E69, m241  [ doi:10.1107/S1600536813008283 ]

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