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Volume 69 
Part 2 
Page m85  
February 2013  

Received 3 December 2012
Accepted 13 December 2012
Online 9 January 2013

[zq2192sup1]
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Key indicators
Single-crystal X-ray study
T = 273 K
Mean [sigma](C-C) = 0.003 Å
R = 0.029
wR = 0.081
Data-to-parameter ratio = 13.2
Details
Open access

Poly[bis([mu]2-5-{4-[(1H-imidazol-1-yl)methyl]phenyl}tetrazolato)zinc]

Zhe Songa*

aDepartment of Chemistry, Changchun Normal University, Changchun 130032, People's Republic of China
Correspondence e-mail: songzhe@cncnc.edu.cn

In the title compound, [Zn(C11H9N6)2]n, the ZnII atom lies on an inversion center and is coordinated by four N atoms from four 5-[4-(1H-imidazol-1-ylmethyl)phenyl]tetrazolate ligands in a distorted tetrahedral geometry. The ligands bridge the ZnII atoms, leading to the formation of a two-dimensional network parallel to (010). The structure is further stabilized by C-H...N, C-H...[pi] and [pi]-[pi] [centroid-centroid distance = 3.7523 (11) Å] interactions within the network.

Related literature

For background to metal-organic architectures, see: Awaleh et al. (2005[Awaleh, M. O., Badia, A. & Brisse, F. (2005). Cryst. Growth Des. 5, 1897-1906.]); Mooibroek & Gamez (2007[Mooibroek, T. J. & Gamez, P. (2007). Inorg. Chim. Acta, 360, 381-404.]); Su et al. (2009[Su, Z., Xu, J., Huang, Y.-Q., Okamura, T.-A., Liu, G.-X., Bai, Z.-S., Chen, M.-S., Chen, S.-S. & Sun, W.-Y. (2009). J. Solid State Chem. 182, 1417-1423.]). For background to metal-azolate frameworks, see: Darling et al. (2012[Darling, K., Ouellette, W., Pellizzeri, S., Smith, T., Vargas, J., Tomaszfski, S., O'Connor, C. J. & Zubieta, J. (2012). Inorg. Chim. Acta, 392, 417-427.]). For related structures, see: Huang et al. (2009[Huang, R.-Y., Zhu, K., Chen, H., Liu, G.-X. & Ren, X.-M. (2009). Wuji Huaxue Xuebao, 25, 162-165.]); Su et al. (2009[Su, Z., Xu, J., Huang, Y.-Q., Okamura, T.-A., Liu, G.-X., Bai, Z.-S., Chen, M.-S., Chen, S.-S. & Sun, W.-Y. (2009). J. Solid State Chem. 182, 1417-1423.]).

[Scheme 1]

Experimental

Crystal data

  • [Zn(C11H9N6)2]

  • Mr = 515.85

  • Orthorhombic, P b c n

  • a = 16.1206 (12) Å

  • b = 9.3720 (7) Å

  • c = 14.6367 (11) Å

  • V = 2211.3 (3) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.15 mm-1

  • T = 273 K

  • 0.28 × 0.26 × 0.24 mm
Data collection

  • Bruker APEXII CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2001[Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.736, Tmax = 0.752

  • 11210 measured reflections

  • 2105 independent reflections

  • 1874 reflections with I > 2[sigma](I)

  • Rint = 0.020
Refinement

  • R[F2 > 2[sigma](F2)] = 0.029

  • wR(F2) = 0.081

  • S = 1.07

  • 2105 reflections

  • 159 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.29 e Å-3

  • [Delta][rho]min = -0.27 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

Cg2 is the centroid of the C1-C6 ring.
D-H...A D-H H...A D...A D-H...A
C10-H10...N4i 0.93 2.45 3.344 (2) 163
C8-H8A...Cg2ii 0.97 2.88 3.692 (2) 142
Symmetry codes: (i) [x+{\script{1\over 2}}, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]; (ii) [x+1, -y-1, z-{\script{1\over 2}}].

Data collection: APEX2 (Bruker, 2007[Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; 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; molecular graphics: XP in SHELXTL and DIAMOND (Brandenburg, 1999[Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: ZQ2192 ).

Acknowledgements

This work was supported by the Natural Science Foundation of Changchun Normal University.

References

Awaleh, M. O., Badia, A. & Brisse, F. (2005). Cryst. Growth Des. 5, 1897-1906.  [CSD] [CrossRef] [ChemPort]
Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Darling, K., Ouellette, W., Pellizzeri, S., Smith, T., Vargas, J., Tomaszfski, S., O'Connor, C. J. & Zubieta, J. (2012). Inorg. Chim. Acta, 392, 417-427.  [ISI] [CSD] [CrossRef]
Huang, R.-Y., Zhu, K., Chen, H., Liu, G.-X. & Ren, X.-M. (2009). Wuji Huaxue Xuebao, 25, 162-165.  [ChemPort]
Mooibroek, T. J. & Gamez, P. (2007). Inorg. Chim. Acta, 360, 381-404.  [ISI] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Su, Z., Xu, J., Huang, Y.-Q., Okamura, T.-A., Liu, G.-X., Bai, Z.-S., Chen, M.-S., Chen, S.-S. & Sun, W.-Y. (2009). J. Solid State Chem. 182, 1417-1423.  [ISI] [CSD] [CrossRef] [ChemPort]

Acta Cryst (2013). E69, m85  [ doi:10.1107/S1600536812050672 ]

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