Bis(2-bromo-pyridinium) hexa-bromido-stannate(IV).

The asymmetric unit of the title compound, (C(5)H(5)BrN)(2)[SnBr(6)], contains one cation and one half-anion. The [SnBr(6)](2-) anion is located on an inversion center and forms a quasi-regular octa-hedral arrangement. The crystal structure consists of two-dimensional supra-molecular layers assembled via hydrogen-bonding inter-actions of N-H⋯Br-Sn [D⋯A = 3.375 (13)-3.562 (13) Å and D-H⋯A = 127-142°, along with C-Br⋯Br synthons [3.667 (2) and 3.778 (3) Å]. These layers are parallel to the bc plane and built up from anions inter-acting extensively with the six surrounding cations.

Related literature

The title salt is isomorphous with the Te analogue (Fernandes et al., 2004 ▶). For related literature, see: Al-Far & Ali (2007 ▶); Ali, Al-Far & Al-Sou’od (2007 ▶); Ali & Al-Far (2007 ▶); Ali, Al-Far & Ng (2007 ▶); Allen et al. (1987 ▶); Aruta et al. (2005 ▶); Hill (1998 ▶); Kagan et al. (1999 ▶); Knutson et al. (2005 ▶); Raptopoulou et al. (2002 ▶); Tudela & Khan (1991 ▶); Willey et al. (1998 ▶).

Experimental

Crystal data

(C5H5BrN)2[SnBr6]

M = 916.12

Triclinic,

a = 7.4037 (15) Å

b = 8.3393 (17) Å

c = 9.4302 (19) Å

α = 73.14 (3)°

β = 67.98 (3)°

γ = 82.44 (3)°

V = 516.4 (2) Å3

Z = 1

Mo Kα radiation

μ = 16.71 mm−1

T = 293 (2) K

0.16 × 0.13 × 0.08 mm

Data collection

Bruker–Siemens SMART APEX diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2007 ▶) T min = 0.058, T max = 0.261

2266 measured reflections

1807 independent reflections

1308 reflections with I > 2σ(I)

R int = 0.091

Refinement

R[F 2 > 2σ(F 2)] = 0.068

wR(F 2) = 0.178

S = 1.02

1807 reflections

67 parameters

H-atom parameters constrained

Δρmax = 3.31 e Å−3

Δρmin = −1.87 e Å−3

Data collection: SMART (Bruker, 2006 ▶); cell refinement: SAINT-Plus (Bruker, 2006 ▶); data reduction: SAINT-Plus; program(s) used to solve structure: XS in SHELXTL (Sheldrick, 2008 ▶); program(s) used to refine structure: XL in SHELXTL; molecular graphics: XP in SHELXTL; software used to prepare material for publication: XCIF in SHELXTL.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536808012129/bx2139sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808012129/bx2139Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

(C5H5BrN)2[SnBr6]	Z = 1
Mr = 916.12	F000 = 414
Triclinic, P1	Dx = 2.946 Mg m−3
Hall symbol: -P 1	Mo Kα radiation λ = 0.71073 Å
a = 7.4037 (15) Å	Cell parameters from 255 reflections
b = 8.3393 (17) Å	θ = 2.1–27.7º
c = 9.4302 (19) Å	µ = 16.71 mm−1
α = 73.14 (3)º	T = 293 (2) K
β = 67.98 (3)º	Block, yellow
γ = 82.44 (3)º	0.16 × 0.13 × 0.08 mm
V = 516.4 (2) Å3

Bruker–Siemens SMART APEX diffractometer	1807 independent reflections
Radiation source: fine-focus sealed tube	1308 reflections with I > 2σ(I)
Monochromator: graphite	Rint = 0.091
Detector resolution: 8.3 pixels mm-1	θmax = 25.0º
T = 293(2) K	θmin = 2.4º
ω scans	h = −1→8
Absorption correction: multi-scan(SADABS; Bruker, 2007)	k = −9→9
Tmin = 0.058, Tmax = 0.261	l = −10→11
2266 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)] = 0.068	H-atom parameters constrained
wR(F2) = 0.178	w = 1/[σ2(Fo2) + (0.1076P)2 + 1.002P] where P = (Fo2 + 2Fc2)/3
S = 1.02	(Δ/σ)max < 0.001
1807 reflections	Δρmax = 3.31 e Å−3
67 parameters	Δρmin = −1.87 e Å−3
Primary atom site location: structure-invariant direct methods	Extinction correction: none

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
Sn1	0.5000	0.5000	0.0000	0.0271 (4)
Br4	0.80819 (19)	0.51691 (17)	−0.25738 (17)	0.0365 (4)
Br3	0.5601 (2)	0.17999 (16)	0.09614 (18)	0.0394 (4)
Br1	0.2879 (2)	0.43877 (19)	−0.14375 (19)	0.0426 (4)
Br2	0.6761 (3)	0.2489 (2)	−0.4484 (2)	0.0674 (6)
C2	0.7936 (19)	0.1051 (18)	−0.5793 (18)	0.038 (3)*
N1	0.9316 (17)	0.1687 (17)	−0.7225 (17)	0.049 (3)*
H1	0.9575	0.2732	−0.7499	0.059*
C3	0.751 (2)	−0.0578 (18)	−0.5321 (19)	0.042 (3)*
H3	0.6604	−0.1039	−0.4324	0.051*
C4	0.845 (2)	−0.155 (2)	−0.6371 (19)	0.047 (4)*
H4	0.8119	−0.2665	−0.6094	0.057*
C5	0.990 (2)	−0.090 (2)	−0.784 (2)	0.051 (4)*
H5	1.0572	−0.1560	−0.8526	0.061*
C6	1.028 (3)	0.077 (2)	−0.822 (2)	0.060 (5)*
H6	1.1225	0.1254	−0.9183	0.072*

	U11	U22	U33	U12	U13	U23
Sn1	0.0304 (6)	0.0249 (6)	0.0213 (7)	0.0021 (5)	−0.0058 (5)	−0.0048 (5)
Br4	0.0387 (7)	0.0322 (7)	0.0294 (8)	−0.0003 (5)	−0.0011 (6)	−0.0094 (6)
Br3	0.0462 (8)	0.0258 (7)	0.0340 (9)	0.0066 (6)	−0.0067 (6)	−0.0034 (6)
Br1	0.0491 (8)	0.0446 (8)	0.0391 (9)	−0.0002 (6)	−0.0226 (7)	−0.0094 (7)
Br2	0.1089 (15)	0.0522 (10)	0.0491 (11)	0.0059 (10)	−0.0295 (11)	−0.0268 (9)

Sn1—Br3	2.5939 (15)	N1—C6	1.32 (2)
Sn1—Br3i	2.5939 (15)	N1—H1	0.8600
Sn1—Br1	2.6027 (15)	C3—C4	1.39 (2)
Sn1—Br1i	2.6027 (15)	C3—H3	0.9300
Sn1—Br4i	2.6174 (17)	C4—C5	1.40 (2)
Sn1—Br4	2.6174 (17)	C4—H4	0.9300
Br2—C2	1.870 (15)	C5—C6	1.37 (2)
C2—C3	1.34 (2)	C5—H5	0.9300
C2—N1	1.357 (19)	C6—H6	0.9300
Br3—Sn1—Br3i	180.0	N1—C2—Br2	117.9 (11)
Br3—Sn1—Br1	89.06 (5)	C6—N1—C2	122.7 (14)
Br3i—Sn1—Br1	90.94 (5)	C6—N1—H1	118.6
Br3—Sn1—Br1i	90.94 (5)	C2—N1—H1	118.6
Br3i—Sn1—Br1i	89.06 (5)	C2—C3—C4	117.8 (15)
Br1—Sn1—Br1i	180.00 (5)	C2—C3—H3	121.1
Br3—Sn1—Br4i	89.43 (6)	C4—C3—H3	121.1
Br3i—Sn1—Br4i	90.57 (6)	C3—C4—C5	121.7 (15)
Br1—Sn1—Br4i	90.21 (5)	C3—C4—H4	119.1
Br1i—Sn1—Br4i	89.79 (5)	C5—C4—H4	119.1
Br3—Sn1—Br4	90.57 (6)	C6—C5—C4	116.8 (17)
Br3i—Sn1—Br4	89.43 (6)	C6—C5—H5	121.6
Br1—Sn1—Br4	89.79 (5)	C4—C5—H5	121.6
Br1i—Sn1—Br4	90.21 (5)	N1—C6—C5	120.6 (17)
Br4i—Sn1—Br4	180.0	N1—C6—H6	119.7
C3—C2—N1	120.3 (15)	C5—C6—H6	119.7
C3—C2—Br2	121.8 (12)
C3—C2—N1—C6	1(2)	C2—C3—C4—C5	4(2)
Br2—C2—N1—C6	177.7 (12)	C3—C4—C5—C6	−3(2)
N1—C2—C3—C4	−3(2)	C2—N1—C6—C5	1(3)
Br2—C2—C3—C4	−179.9 (11)	C4—C5—C6—N1	0(3)

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1···Br4ii	0.86	2.65	3.375 (13)	142
N1—H1···Br1iii	0.86	2.98	3.562 (13)	127

Sn1—Br3	2.5939 (15)
Sn1—Br1	2.6027 (15)
Sn1—Br4	2.6174 (17)

Br3—Sn1—Br1	89.06 (5)
Br3i—Sn1—Br1	90.94 (5)
Br3—Sn1—Br4i	89.43 (6)
Br1—Sn1—Br4i	90.21 (5)
Br3—Sn1—Br4	90.57 (6)
Br1—Sn1—Br4	89.79 (5)

Symmetry code: (i) .

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N1—H1⋯Br4ii	0.86	2.65	3.375 (13)	142
N1—H1⋯Br1iii	0.86	2.98	3.562 (13)	127

Symmetry codes: (ii) ; (iii) .