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Volume 68 
Part 11 
Page m1320  
November 2012  

Received 26 September 2012
Accepted 28 September 2012
Online 3 October 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.020 Å
R = 0.054
wR = 0.140
Data-to-parameter ratio = 12.8
Details
Open access

Bis(2,4,6-trimethylpyridinium) tetrabromidozincate

aDepartment of Chemistry, Al al-Bayt University, Mafraq 25113, Jordan,bDepartment of Chemistry, The University of Jordan, Amman 11942, Jordan, and cFaculty of Science and IT, Al-Balqa'a Applied University, Salt, Jordan
Correspondence e-mail: bfali@aabu.edu.jo

In the title compound, (C8H12N)2[ZnBr4], the coordination geometry of the anion is approximately tetrahedral. The Zn-Br bond lengths range from 2.3901 (19) to 2.449 (2) Å and the Br-Zn-Br angles range from 107.09 (8) to 112.48 (8)°. In the crystal, each [ZnBr4]2- anion is connected to four cations through two N-H...Br and two C-H...Br hydrogen bonds, forming two-dimensional ...(cation)2...anion...(cation2)... sheets parallel to the bc plane. Within each sheet, the anions are arranged in stacks with no significant inter-anion Br...Br interactions [the shortest being > 4.3 Å], while the cations are in chains, with weak [pi]-[pi] stacking interactions [centroid-centroid distance = 3.991 Å] between cations interacting with the same anion.

Related literature

For background information, see: Ali & Al-Far (2009[Ali, B. F. & Al-Far, R. (2009). Acta Cryst. E65, m581-m582.]). For bond lengths and angles in the [ZnBr4]2- anion, see: Ali & Al-Far (2009[Ali, B. F. & Al-Far, R. (2009). Acta Cryst. E65, m581-m582.]); Peng & Li (2011[Peng, C. & Li, Y. (2011). Acta Cryst. E67, m1056.]). For another structure containing the 2,4,6-trimethylpyridinium cation, see: Abbasi et al. (2011[Abbasi, M. A., Nazir, K., Akkurt, M., Aziz-ur-Rehman, Khan, I. U. & Mustafa, G. (2011). Acta Cryst. E67, o2375.]).

[Scheme 1]

Experimental

Crystal data
  • (C8H12N)2[ZnBr4]

  • Mr = 629.36

  • Triclinic, P 1

  • a = 7.3627 (8) Å

  • b = 9.0310 (8) Å

  • c = 9.1854 (9) Å

  • [alpha] = 101.741 (8)°

  • [beta] = 110.778 (10)°

  • [gamma] = 96.321 (8)°

  • V = 547.89 (9) Å3

  • Z = 1

  • Mo K[alpha] radiation

  • [mu] = 8.41 mm-1

  • T = 293 K

  • 0.35 × 0.25 × 0.20 mm

Data collection
  • Oxford Xcalibur Eos diffractometer

  • Absorption correction: multi-scan (CrysAlis PRO; Agilent, 2011[Agilent (2011). CrysAlis PRO. Agilent Technologies, Yarnton, England.]) Tmin = 0.413, Tmax = 1.000

  • 3637 measured reflections

  • 2730 independent reflections

  • 2399 reflections with I > 2[sigma](I)

  • Rint = 0.021

Refinement
  • R[F2 > 2[sigma](F2)] = 0.054

  • wR(F2) = 0.140

  • S = 1.02

  • 2730 reflections

  • 214 parameters

  • 3 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.75 e Å-3

  • [Delta][rho]min = -0.77 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 797 Friedel pairs

  • Flack parameter: -0.02 (2)

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N1-H1A...Br1i 0.86 2.79 3.647 (13) 175
N2-H2A...Br3 0.86 2.57 3.433 (10) 179
C2-H2B...Br3 0.93 2.79 3.685 (11) 162
C10-H10A...Br4ii 0.93 2.86 3.776 (13) 168
Symmetry codes: (i) x-1, y-1, z-1; (ii) x, y+1, z+1.

Data collection: CrysAlis PRO (Agilent, 2011[Agilent (2011). CrysAlis PRO. Agilent Technologies, Yarnton, England.]); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; 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: PV2593 ).


Acknowledgements

This structure was determined at the Hamdi Mango Center for Scientific Research at the University of Jordan, Amman. RA-F is grateful for financial support from Al-Balqa'a Applied University (Salt, Jordan).

References

Abbasi, M. A., Nazir, K., Akkurt, M., Aziz-ur-Rehman, Khan, I. U. & Mustafa, G. (2011). Acta Cryst. E67, o2375.  [CSD] [CrossRef] [details]
Agilent (2011). CrysAlis PRO. Agilent Technologies, Yarnton, England.
Ali, B. F. & Al-Far, R. (2009). Acta Cryst. E65, m581-m582.  [CSD] [CrossRef] [details]
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [details]
Peng, C. & Li, Y. (2011). Acta Cryst. E67, m1056.  [CrossRef] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2012). E68, m1320  [ doi:10.1107/S1600536812040925 ]

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