metal-organic compounds
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 π–π 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
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Data collection: CrysAlis PRO (Agilent, 2011); cell 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.
Supporting information
10.1107/S1600536812040925/pv2593sup1.cif
contains datablocks I, global. DOI:Structure factors: contains datablock I. DOI: 10.1107/S1600536812040925/pv2593Isup2.hkl
To a hot solution of 2,4,6-trimethylpyridine (0.122 g, 1 mmol) and 1 ml of 60% HBr dissolved in 95% EtOH (15 ml), a hot solution of ZnCl2 (0.136 g, 1 mmol) dissolved in 95% EtOH (10 ml) was added. The resulting mixture was then treated with liquid Br2 (2 ml) and refluxed for 2 h. The resulting mixture was left undisturbed to evaporate at room temperature whereupon colorless plate crystals were formed after two days.
All H atoms were positioned geometrically and refined using a riding model, with N—H = 0.86 Å and C—H = 0.93 and 0.96 Å, for aryl and methyl H atoms, respectively. The Uiso(H) were allowed at 1.5Ueq(C methyl) or 1.2Ueq(N/C nonmethyl). An
was determined by using 797 Friedel pairs.Data collection: CrysAlis PRO (Agilent, 2011); cell
CrysAlis PRO (Agilent, 2011); data reduction: CrysAlis PRO (Agilent, 2011); 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 (Sheldrick, 2008).(C8H12N)2[ZnBr4] | Z = 1 |
Mr = 629.36 | F(000) = 304 |
Triclinic, P1 | Dx = 1.908 Mg m−3 |
Hall symbol: P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 7.3627 (8) Å | Cell parameters from 1674 reflections |
b = 9.0310 (8) Å | θ = 2.9–29.1° |
c = 9.1854 (9) Å | µ = 8.41 mm−1 |
α = 101.741 (8)° | T = 293 K |
β = 110.778 (10)° | Chunk, colourless |
γ = 96.321 (8)° | 0.35 × 0.25 × 0.2 mm |
V = 547.89 (9) Å3 |
Oxford Xcalibur Eos diffractometer | 2730 independent reflections |
Radiation source: Enhance (Mo) X-ray Source | 2399 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.021 |
Detector resolution: 16.0534 pixels mm-1 | θmax = 25.0°, θmin = 2.9° |
ω scans | h = −8→8 |
Absorption correction: multi-scan (CrysAlis PRO; Agilent, 2011) | k = −10→7 |
Tmin = 0.413, Tmax = 1.000 | l = −10→10 |
3637 measured reflections |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.054 | H-atom parameters constrained |
wR(F2) = 0.140 | w = 1/[σ2(Fo2) + (0.0933P)2] where P = (Fo2 + 2Fc2)/3 |
S = 1.02 | (Δ/σ)max < 0.001 |
2730 reflections | Δρmax = 0.75 e Å−3 |
214 parameters | Δρmin = −0.77 e Å−3 |
3 restraints | Absolute structure: Flack (1983), 797 Friedel pairs |
Primary atom site location: structure-invariant direct methods | Absolute structure parameter: −0.02 (2) |
(C8H12N)2[ZnBr4] | γ = 96.321 (8)° |
Mr = 629.36 | V = 547.89 (9) Å3 |
Triclinic, P1 | Z = 1 |
a = 7.3627 (8) Å | Mo Kα radiation |
b = 9.0310 (8) Å | µ = 8.41 mm−1 |
c = 9.1854 (9) Å | T = 293 K |
α = 101.741 (8)° | 0.35 × 0.25 × 0.2 mm |
β = 110.778 (10)° |
Oxford Xcalibur Eos diffractometer | 2730 independent reflections |
Absorption correction: multi-scan (CrysAlis PRO; Agilent, 2011) | 2399 reflections with I > 2σ(I) |
Tmin = 0.413, Tmax = 1.000 | Rint = 0.021 |
3637 measured reflections |
R[F2 > 2σ(F2)] = 0.054 | H-atom parameters constrained |
wR(F2) = 0.140 | Δρmax = 0.75 e Å−3 |
S = 1.02 | Δρmin = −0.77 e Å−3 |
2730 reflections | Absolute structure: Flack (1983), 797 Friedel pairs |
214 parameters | Absolute structure parameter: −0.02 (2) |
3 restraints |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | ||
Zn1 | 0.9260 (2) | 0.39402 (17) | 0.49611 (17) | 0.0439 (3) | |
Br4 | 0.9532 (2) | 0.27784 (15) | 0.24750 (16) | 0.0629 (4) | |
Br3 | 0.59389 (18) | 0.45209 (17) | 0.43497 (16) | 0.0576 (4) | |
Br2 | 0.9650 (2) | 0.22617 (15) | 0.67076 (16) | 0.0609 (4) | |
Br1 | 1.16750 (19) | 0.63427 (15) | 0.62829 (16) | 0.0617 (4) | |
N2 | 0.6828 (15) | 0.6293 (11) | 0.8284 (12) | 0.046 (2) | |
H2A | 0.6588 | 0.5839 | 0.7298 | 0.055* | |
C10 | 0.7852 (19) | 0.8528 (16) | 1.0355 (17) | 0.053 (3) | |
H10A | 0.8271 | 0.9595 | 1.0719 | 0.063* | |
C13 | 0.6550 (18) | 0.5429 (14) | 0.9227 (15) | 0.047 (3) | |
C9 | 0.7459 (19) | 0.7828 (15) | 0.8773 (18) | 0.052 (3) | |
C12 | 0.7024 (18) | 0.6132 (16) | 1.0853 (15) | 0.053 (3) | |
H12A | 0.6917 | 0.5538 | 1.1546 | 0.064* | |
C11 | 0.7654 (18) | 0.7721 (14) | 1.1426 (16) | 0.045 (3) | |
N1 | 0.2717 (18) | −0.1748 (16) | 0.0480 (15) | 0.065 (3) | |
H1A | 0.2518 | −0.2148 | −0.0511 | 0.078* | |
C4 | 0.2765 (16) | −0.1995 (15) | 0.3001 (15) | 0.046 (3) | |
H4A | 0.2619 | −0.2619 | 0.3658 | 0.056* | |
C2 | 0.3449 (17) | 0.0429 (13) | 0.2619 (15) | 0.045 (3) | |
H2B | 0.3782 | 0.1497 | 0.3019 | 0.054* | |
C5 | 0.2520 (17) | −0.2679 (15) | 0.1393 (14) | 0.045 (3) | |
C3 | 0.3220 (18) | −0.0405 (15) | 0.3603 (15) | 0.047 (3) | |
C1 | 0.323 (2) | −0.0168 (17) | 0.1074 (18) | 0.058 (3) | |
C15 | 0.804 (2) | 0.848 (2) | 1.3147 (17) | 0.067 (4) | |
H15A | 0.9121 | 0.8130 | 1.3848 | 0.100* | |
H15B | 0.6876 | 0.8221 | 1.3356 | 0.100* | |
H15C | 0.8381 | 0.9580 | 1.3338 | 0.100* | |
C7 | 0.350 (2) | 0.038 (2) | 0.5270 (19) | 0.062 (4) | |
H7A | 0.4814 | 0.0996 | 0.5823 | 0.093* | |
H7B | 0.3321 | −0.0378 | 0.5830 | 0.093* | |
H7C | 0.2547 | 0.1030 | 0.5239 | 0.093* | |
C14 | 0.774 (3) | 0.864 (2) | 0.758 (2) | 0.083 (5) | |
H14A | 0.8654 | 0.8205 | 0.7171 | 0.125* | |
H14B | 0.8253 | 0.9715 | 0.8091 | 0.125* | |
H14C | 0.6487 | 0.8504 | 0.6700 | 0.125* | |
C8 | 0.202 (2) | −0.4391 (14) | 0.0714 (18) | 0.057 (3) | |
H8A | 0.1790 | −0.4631 | −0.0411 | 0.086* | |
H8B | 0.0841 | −0.4806 | 0.0842 | 0.086* | |
H8C | 0.3094 | −0.4835 | 0.1277 | 0.086* | |
C16 | 0.585 (3) | 0.3720 (16) | 0.851 (2) | 0.064 (4) | |
H16A | 0.6220 | 0.3414 | 0.7604 | 0.097* | |
H16B | 0.4432 | 0.3467 | 0.8150 | 0.097* | |
H16C | 0.6444 | 0.3188 | 0.9303 | 0.097* | |
C6 | 0.353 (4) | 0.090 (3) | 0.010 (3) | 0.120 (9) | |
H6A | 0.2549 | 0.1531 | −0.0043 | 0.179* | |
H6B | 0.3405 | 0.0304 | −0.0941 | 0.179* | |
H6C | 0.4828 | 0.1540 | 0.0641 | 0.179* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Zn1 | 0.0515 (8) | 0.0429 (7) | 0.0372 (7) | 0.0055 (6) | 0.0178 (6) | 0.0109 (5) |
Br4 | 0.0890 (11) | 0.0564 (9) | 0.0506 (8) | 0.0112 (7) | 0.0382 (8) | 0.0105 (6) |
Br3 | 0.0525 (8) | 0.0733 (9) | 0.0461 (7) | 0.0155 (7) | 0.0172 (6) | 0.0155 (6) |
Br2 | 0.0802 (10) | 0.0601 (8) | 0.0521 (8) | 0.0160 (7) | 0.0292 (7) | 0.0279 (7) |
Br1 | 0.0650 (9) | 0.0521 (8) | 0.0573 (9) | −0.0076 (6) | 0.0207 (7) | 0.0073 (6) |
N2 | 0.055 (6) | 0.047 (6) | 0.029 (5) | −0.006 (5) | 0.012 (4) | 0.012 (4) |
C10 | 0.042 (6) | 0.048 (7) | 0.061 (9) | 0.009 (5) | 0.013 (6) | 0.009 (6) |
C13 | 0.047 (7) | 0.037 (6) | 0.053 (7) | 0.002 (5) | 0.019 (6) | 0.007 (6) |
C9 | 0.051 (7) | 0.047 (8) | 0.059 (8) | 0.007 (6) | 0.020 (6) | 0.018 (6) |
C12 | 0.049 (7) | 0.070 (9) | 0.041 (7) | 0.016 (7) | 0.017 (6) | 0.015 (6) |
C11 | 0.036 (6) | 0.051 (8) | 0.047 (7) | 0.009 (5) | 0.016 (5) | 0.008 (6) |
N1 | 0.059 (7) | 0.094 (10) | 0.044 (6) | 0.012 (6) | 0.020 (5) | 0.021 (6) |
C4 | 0.041 (6) | 0.062 (8) | 0.040 (6) | 0.017 (6) | 0.016 (5) | 0.018 (6) |
C2 | 0.047 (7) | 0.029 (6) | 0.051 (8) | 0.003 (5) | 0.011 (6) | 0.010 (5) |
C5 | 0.035 (6) | 0.069 (8) | 0.030 (6) | 0.011 (5) | 0.010 (5) | 0.013 (6) |
C3 | 0.045 (7) | 0.058 (8) | 0.037 (6) | 0.015 (6) | 0.014 (5) | 0.007 (6) |
C1 | 0.051 (8) | 0.064 (9) | 0.058 (9) | 0.007 (6) | 0.014 (6) | 0.031 (7) |
C15 | 0.064 (9) | 0.082 (11) | 0.037 (8) | 0.007 (8) | 0.018 (7) | −0.014 (7) |
C7 | 0.066 (10) | 0.074 (10) | 0.048 (8) | 0.020 (8) | 0.027 (7) | 0.009 (7) |
C14 | 0.109 (14) | 0.086 (12) | 0.073 (12) | 0.029 (10) | 0.035 (10) | 0.057 (10) |
C8 | 0.070 (9) | 0.037 (7) | 0.061 (9) | 0.006 (6) | 0.024 (7) | 0.009 (6) |
C16 | 0.087 (11) | 0.049 (8) | 0.065 (10) | 0.000 (7) | 0.039 (8) | 0.021 (7) |
C6 | 0.120 (17) | 0.15 (2) | 0.119 (19) | 0.027 (15) | 0.047 (15) | 0.101 (17) |
Zn1—Br2 | 2.3901 (19) | C2—C1 | 1.356 (19) |
Zn1—Br4 | 2.398 (2) | C2—H2B | 0.9300 |
Zn1—Br1 | 2.4270 (19) | C5—C8 | 1.494 (18) |
Zn1—Br3 | 2.449 (2) | C3—C7 | 1.480 (19) |
N2—C13 | 1.329 (16) | C1—C6 | 1.49 (2) |
N2—C9 | 1.340 (16) | C15—H15A | 0.9600 |
N2—H2A | 0.8600 | C15—H15B | 0.9600 |
C10—C9 | 1.37 (2) | C15—H15C | 0.9600 |
C10—C11 | 1.38 (2) | C7—H7A | 0.9600 |
C10—H10A | 0.9300 | C7—H7B | 0.9600 |
C13—C12 | 1.397 (18) | C7—H7C | 0.9600 |
C13—C16 | 1.501 (18) | C14—H14A | 0.9600 |
C9—C14 | 1.50 (2) | C14—H14B | 0.9600 |
C12—C11 | 1.387 (18) | C14—H14C | 0.9600 |
C12—H12A | 0.9300 | C8—H8A | 0.9600 |
C11—C15 | 1.498 (18) | C8—H8B | 0.9600 |
N1—C5 | 1.333 (18) | C8—H8C | 0.9600 |
N1—C1 | 1.377 (19) | C16—H16A | 0.9600 |
N1—H1A | 0.8600 | C16—H16B | 0.9600 |
C4—C3 | 1.385 (17) | C16—H16C | 0.9600 |
C4—C5 | 1.418 (17) | C6—H6A | 0.9600 |
C4—H4A | 0.9300 | C6—H6B | 0.9600 |
C2—C3 | 1.331 (18) | C6—H6C | 0.9600 |
Br2—Zn1—Br4 | 112.48 (8) | C2—C1—N1 | 117.5 (12) |
Br2—Zn1—Br1 | 110.92 (8) | C2—C1—C6 | 119.3 (16) |
Br4—Zn1—Br1 | 109.19 (7) | N1—C1—C6 | 123.1 (16) |
Br2—Zn1—Br3 | 107.09 (8) | C11—C15—H15A | 109.5 |
Br4—Zn1—Br3 | 108.55 (8) | C11—C15—H15B | 109.5 |
Br1—Zn1—Br3 | 108.49 (8) | H15A—C15—H15B | 109.5 |
C13—N2—C9 | 124.2 (11) | C11—C15—H15C | 109.5 |
C13—N2—H2A | 117.9 | H15A—C15—H15C | 109.5 |
C9—N2—H2A | 117.9 | H15B—C15—H15C | 109.5 |
C9—C10—C11 | 122.8 (12) | C3—C7—H7A | 109.5 |
C9—C10—H10A | 118.6 | C3—C7—H7B | 109.5 |
C11—C10—H10A | 118.6 | H7A—C7—H7B | 109.5 |
N2—C13—C12 | 118.9 (11) | C3—C7—H7C | 109.5 |
N2—C13—C16 | 118.0 (11) | H7A—C7—H7C | 109.5 |
C12—C13—C16 | 123.1 (12) | H7B—C7—H7C | 109.5 |
N2—C9—C10 | 116.9 (12) | C9—C14—H14A | 109.5 |
N2—C9—C14 | 117.8 (13) | C9—C14—H14B | 109.5 |
C10—C9—C14 | 125.2 (14) | H14A—C14—H14B | 109.5 |
C11—C12—C13 | 119.6 (12) | C9—C14—H14C | 109.5 |
C11—C12—H12A | 120.2 | H14A—C14—H14C | 109.5 |
C13—C12—H12A | 120.2 | H14B—C14—H14C | 109.5 |
C10—C11—C12 | 117.4 (12) | C5—C8—H8A | 109.5 |
C10—C11—C15 | 123.1 (12) | C5—C8—H8B | 109.5 |
C12—C11—C15 | 119.5 (13) | H8A—C8—H8B | 109.5 |
C5—N1—C1 | 122.0 (12) | C5—C8—H8C | 109.5 |
C5—N1—H1A | 119.0 | H8A—C8—H8C | 109.5 |
C1—N1—H1A | 119.0 | H8B—C8—H8C | 109.5 |
C3—C4—C5 | 120.7 (12) | C13—C16—H16A | 109.5 |
C3—C4—H4A | 119.7 | C13—C16—H16B | 109.5 |
C5—C4—H4A | 119.7 | H16A—C16—H16B | 109.5 |
C3—C2—C1 | 124.6 (12) | C13—C16—H16C | 109.5 |
C3—C2—H2B | 117.7 | H16A—C16—H16C | 109.5 |
C1—C2—H2B | 117.7 | H16B—C16—H16C | 109.5 |
N1—C5—C4 | 118.0 (12) | C1—C6—H6A | 109.5 |
N1—C5—C8 | 120.4 (12) | C1—C6—H6B | 109.5 |
C4—C5—C8 | 121.6 (12) | H6A—C6—H6B | 109.5 |
C2—C3—C4 | 117.0 (11) | C1—C6—H6C | 109.5 |
C2—C3—C7 | 119.7 (12) | H6A—C6—H6C | 109.5 |
C4—C3—C7 | 123.3 (13) | H6B—C6—H6C | 109.5 |
C9—N2—C13—C12 | −3.1 (18) | C1—N1—C5—C4 | 2.9 (19) |
C9—N2—C13—C16 | −179.7 (13) | C1—N1—C5—C8 | −178.3 (13) |
C13—N2—C9—C10 | 0.6 (19) | C3—C4—C5—N1 | −0.8 (17) |
C13—N2—C9—C14 | 178.8 (13) | C3—C4—C5—C8 | −179.6 (12) |
C11—C10—C9—N2 | 1 (2) | C1—C2—C3—C4 | 1.3 (19) |
C11—C10—C9—C14 | −177.0 (14) | C1—C2—C3—C7 | 179.9 (13) |
N2—C13—C12—C11 | 3.9 (18) | C5—C4—C3—C2 | −1.3 (17) |
C16—C13—C12—C11 | −179.7 (13) | C5—C4—C3—C7 | −179.8 (12) |
C9—C10—C11—C12 | −0.1 (19) | C3—C2—C1—N1 | 1 (2) |
C9—C10—C11—C15 | −178.8 (13) | C3—C2—C1—C6 | −180.0 (15) |
C13—C12—C11—C10 | −2.4 (17) | C5—N1—C1—C2 | −3 (2) |
C13—C12—C11—C15 | 176.3 (12) | C5—N1—C1—C6 | 177.8 (15) |
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. |
Experimental details
Crystal data | |
Chemical formula | (C8H12N)2[ZnBr4] |
Mr | 629.36 |
Crystal system, space group | Triclinic, P1 |
Temperature (K) | 293 |
a, b, c (Å) | 7.3627 (8), 9.0310 (8), 9.1854 (9) |
α, β, γ (°) | 101.741 (8), 110.778 (10), 96.321 (8) |
V (Å3) | 547.89 (9) |
Z | 1 |
Radiation type | Mo Kα |
µ (mm−1) | 8.41 |
Crystal size (mm) | 0.35 × 0.25 × 0.2 |
Data collection | |
Diffractometer | Oxford Xcalibur Eos diffractometer |
Absorption correction | Multi-scan (CrysAlis PRO; Agilent, 2011) |
Tmin, Tmax | 0.413, 1.000 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 3637, 2730, 2399 |
Rint | 0.021 |
(sin θ/λ)max (Å−1) | 0.595 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.054, 0.140, 1.02 |
No. of reflections | 2730 |
No. of parameters | 214 |
No. of restraints | 3 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.75, −0.77 |
Absolute structure | Flack (1983), 797 Friedel pairs |
Absolute structure parameter | −0.02 (2) |
Computer programs: CrysAlis PRO (Agilent, 2011), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).
D—H···A | D—H | H···A | D···A | D—H···A |
N1—H1A···Br1i | 0.86 | 2.79 | 3.647 (13) | 175.4 |
N2—H2A···Br3 | 0.86 | 2.57 | 3.433 (10) | 178.7 |
C2—H2B···Br3 | 0.93 | 2.79 | 3.685 (11) | 162.2 |
C10—H10A···Br4ii | 0.93 | 2.86 | 3.776 (13) | 167.7 |
Symmetry codes: (i) x−1, y−1, z−1; (ii) x, y+1, z+1. |
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. Web of Science CSD CrossRef IUCr Journals Google Scholar
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In connection with ongoing studies of the structural aspects of halo-metal anion salts (Ali & Al-Far, 2009), we herein report the crystal structure of the title compound. The asymmetric unit contains an anion and two independent cations (Fig. 1). The geometry of ZnBr42- anion is approximately tetrahedral. In the anion, the bond distances and angles fall in the range of those reported previously (Peng & Li, 2011). In the cations, the bond lengths and angles are within normal ranges compared to the salt containing 2,4,6-trimethylpyridinium cation (Abbasi et al., 2011). The packing of the structure can be regarded as alternating stacks of anions and chains of cations. The anion stacks are parallel to the cation chains, with no significant Br···Br interactions [shortest Br···Br interactions being greater than 4.3 Å]. The anions and cations are interacting significantly through two N—H···Br—Zn and two pyC—H···Br—Zn hydrogen bonding (Table 1). These interactions link anions and cations into two-dimensional sheets of etc ···(cation)2···anion···(cation)2···etc parallel to bc plane (Fig. 2).