Bis(2,4,6-trimethyl­pyridinium) tetra­bromidozincate

Ali, B.F.; Haddad, S.F.; Al-Far, R.

doi:10.1107/S1600536812040925

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 (C-C) = 0.020 Å
R = 0.054
wR = 0.140
Data-to-parameter ratio = 12.8
Details

Bis(2,4,6-trimethylpyridinium) tetrabromidozincate

Basem F. Ali,^a ^* Salim F. Haddad ^b and Rawhi Al-Far ^c

^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-HBr and two C-HBr hydrogen bonds, forming two-dimensional (cation)₂anion(cation₂) sheets parallel to the bc plane. Within each sheet, the anions are arranged in stacks with no significant inter-anion BrBr 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). For bond lengths and angles in the [ZnBr₄]^2- anion, see: Ali & Al-Far (2009); Peng & Li (2011). For another structure containing the 2,4,6-trimethylpyridinium cation, see: Abbasi et al. (2011).

Experimental

Crystal data

(C₈H₁₂N)₂[ZnBr₄]
M_r = 629.36
Triclinic, P 1
a = 7.3627 (8) Å
b = 9.0310 (8) Å
c = 9.1854 (9) Å
= 101.741 (8)°
= 110.778 (10)°
= 96.321 (8)°
V = 547.89 (9) Å³
Z = 1
Mo K radiation
= 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) T_min = 0.413, T_max = 1.000
3637 measured reflections
2730 independent reflections
2399 reflections with I > 2(I)
R_int = 0.021

Refinement

R[F² > 2(F²)] = 0.054
wR(F²) = 0.140
S = 1.02
2730 reflections
214 parameters
3 restraints
H-atom parameters constrained
_max = 0.75 e Å^-3
_min = -0.77 e Å^-3
Absolute structure: Flack (1983), 797 Friedel pairs
Flack parameter: -0.02 (2)

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N1-H1ABr1ⁱ	0.86	2.79	3.647 (13)	175
N2-H2ABr3	0.86	2.57	3.433 (10)	179
C2-H2BBr3	0.93	2.79	3.685 (11)	162
C10-H10ABr4ⁱⁱ	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); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); 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.
Agilent (2011). CrysAlis PRO. Agilent Technologies, Yarnton, England.
Ali, B. F. & Al-Far, R. (2009). Acta Cryst. E65, m581-m582.
Flack, H. D. (1983). Acta Cryst. A39, 876-881.
Peng, C. & Li, Y. (2011). Acta Cryst. E67, m1056.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds