Poly[[μ(2)-1,2-bis-(4-pyrid-yl)ethene-κN:N']-di-μ(3)-bromido-dicopper(I)].

In the title polymeric Cu(I) compound, [Cu(2)Br(2)(C(12)H(10)N(2))](n), the Cu cation is coordinated by an N atom from the 1,2-bis-(4-pyrid-yl)ethene ligand and three Br(-) anions in a distorted tetra-hedral CuBr(3)N coordination geometry. Each Br(-) anion bridges three Cu cations related by inversion centers, forming a stair-like polymeric chain along the a axis, and the terminal N atoms of the 1,2-bis-(4-pyrid-yl)ethene ligand, located across an inversion center, coordinate the Cu cations from neighboring chains, forming polymeric sheets.

Related literature

For related structures, see: Yang (2009 ▶); Wang (2008 ▶); Näther & Greve (2001 ▶). For stair-like structures, see: Healy et al. (1989 ▶); Jasinski et al. (1985 ▶).

Experimental

Crystal data

[Cu2Br2(C12H10N2)]

M = 234.56

Monoclinic,

a = 3.9066 (3) Å

b = 15.1047 (13) Å

c = 11.1050 (9) Å

β = 95.149 (2)°

V = 652.64 (9) Å3

Z = 4

Mo Kα radiation

μ = 9.36 mm−1

T = 294 K

0.40 × 0.10 × 0.05 mm

Data collection

Nonius KappaCCD diffractometer

Absorption correction: multi-scan (SCALEPACK; Otwinowski & Minor, 1997 ▶) T min = 0.487, T max = 0.938

3454 measured reflections

1162 independent reflections

1083 reflections with I > 2σ(I)

R int = 0.037

Refinement

R[F 2 > 2σ(F 2)] = 0.048

wR(F 2) = 0.096

S = 1.30

1162 reflections

82 parameters

H-atom parameters constrained

Δρmax = 0.61 e Å−3

Δρmin = −0.91 e Å−3

Data collection: COLLECT (Nonius, 2000 ▶); cell refinement: SCALEPACK (Otwinowski & Minor, 1997 ▶); data reduction: DENZO (Otwinowski & Minor, 1997 ▶) and SCALEPACK; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: PLATON (Spek, 2009 ▶); software used to prepare material for publication: PLATON.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536810030734/xu5009sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810030734/xu5009Isup2.hkl

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

[Cu2Br2(C12H10N2)]	F(000) = 448
Mr = 234.56	Dx = 2.387 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 2187 reflections
a = 3.9066 (3) Å	θ = 2.5–25.0°
b = 15.1047 (13) Å	µ = 9.36 mm−1
c = 11.1050 (9) Å	T = 294 K
β = 95.149 (2)°	Columnar, orange
V = 652.64 (9) Å3	0.40 × 0.10 × 0.05 mm
Z = 4

Nonius KappaCCD diffractometer	1162 independent reflections
Radiation source: fine-focus sealed tube	1083 reflections with I > 2σ(I)
graphite	Rint = 0.037
Detector resolution: 9 pixels mm-1	θmax = 25.1°, θmin = 2.3°
CCD rotation images, thick slices scans	h = −4→4
Absorption correction: multi-scan (SCALEPACK; Otwinowski & Minor, 1997)	k = −17→17
Tmin = 0.487, Tmax = 0.938	l = −9→13
3454 measured reflections

Refinement on F2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.048	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.096	H-atom parameters constrained
S = 1.30	w = 1/[σ2(Fo2) + (0.022P)2 + 3.3443P] where P = (Fo2 + 2Fc2)/3
1162 reflections	(Δ/σ)max = 0.010
82 parameters	Δρmax = 0.61 e Å−3
0 restraints	Δρmin = −0.91 e Å−3

Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All su's are estimated from the variances of the (full) variance-covariance matrix. The cell e.s.d.'s are taken into account in the estimation of distances, angles and torsion angles

Refinement. Refinement on F2 for ALL reflections except those flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The observed criterion of F2 > σ(F2) is used only for calculating -R-factor-obs 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
Br	0.19561 (17)	0.49650 (5)	0.33505 (6)	0.0347 (2)
Cu1	0.2671 (3)	0.56165 (6)	0.54908 (9)	0.0473 (3)
N1	0.3103 (14)	0.6931 (3)	0.5275 (5)	0.0343 (17)
C1	0.1767 (19)	0.7337 (4)	0.4255 (6)	0.039 (2)
C2	0.2046 (19)	0.8230 (5)	0.4055 (7)	0.041 (2)
C3	0.3818 (18)	0.8766 (4)	0.4912 (6)	0.034 (2)
C4	0.520 (2)	0.8355 (5)	0.5972 (6)	0.040 (2)
C5	0.4799 (18)	0.7450 (4)	0.6095 (6)	0.037 (2)
C6	0.4128 (19)	0.9711 (4)	0.4647 (7)	0.036 (2)
H1	0.05970	0.69940	0.36560	0.0470*
H2	0.10420	0.84770	0.33410	0.0490*
H4	0.63640	0.86840	0.65860	0.0480*
H5	0.57850	0.71860	0.67990	0.0440*
H6	0.30120	0.99200	0.39280	0.0440*

	U11	U22	U33	U12	U13	U23
Br	0.0345 (4)	0.0376 (4)	0.0312 (4)	−0.0036 (3)	−0.0006 (3)	0.0001 (3)
Cu1	0.0589 (6)	0.0302 (5)	0.0520 (6)	−0.0054 (4)	0.0000 (4)	0.0062 (4)
N1	0.041 (3)	0.023 (3)	0.039 (3)	−0.001 (2)	0.005 (3)	0.000 (2)
C1	0.048 (4)	0.029 (4)	0.038 (4)	0.002 (3)	−0.006 (3)	−0.002 (3)
C2	0.049 (4)	0.036 (4)	0.035 (4)	0.002 (3)	−0.006 (3)	0.007 (3)
C3	0.038 (4)	0.023 (3)	0.041 (4)	0.003 (3)	0.011 (3)	0.006 (3)
C4	0.050 (4)	0.035 (4)	0.035 (4)	−0.006 (3)	−0.001 (3)	−0.006 (3)
C5	0.043 (4)	0.029 (3)	0.037 (4)	−0.004 (3)	−0.003 (3)	0.001 (3)
C6	0.043 (4)	0.029 (4)	0.036 (4)	0.002 (3)	−0.001 (3)	0.000 (3)

Br—Cu1	2.5645 (12)	C3—C6	1.465 (9)
Br—Cu1i	2.4723 (13)	C4—C5	1.384 (10)
Br—Cu1ii	2.5195 (13)	C6—C6iii	1.321 (10)
N1—Cu1	2.009 (5)	C1—H1	0.9300
N1—C1	1.351 (8)	C2—H2	0.9300
N1—C5	1.332 (8)	C4—H4	0.9300
C1—C2	1.373 (10)	C5—H5	0.9300
C2—C3	1.386 (10)	C6—H6	0.9300
C3—C4	1.396 (10)
Br···C1	3.724 (6)	C4···H6iii	2.7000
Br···H1	3.1300	C6···H4iii	2.7800
Br···H2iv	3.0900	H1···Br	3.1300
Br···H6iv	3.0500	H2···H6	2.3800
C1···C5v	3.551 (10)	H2···Brix	3.0900
C2···C3v	3.527 (10)	H4···C6iii	2.7800
C2···C4v	3.570 (11)	H4···H6iii	2.2000
C3···C2vi	3.527 (10)	H5···C2x	3.0800
C4···C2vi	3.570 (11)	H6···H2	2.3800
C5···C1vi	3.551 (10)	H6···Brix	3.0500
C6···C6vii	3.498 (10)	H6···C4iii	2.7000
C2···H5viii	3.0800	H6···H4iii	2.2000
Cu1—Br—Cu1i	71.21 (4)	C2—C3—C6	118.5 (6)
Cu1—Br—Cu1ii	69.15 (4)	C4—C3—C6	124.8 (6)
Cu1i—Br—Cu1ii	102.99 (4)	C3—C4—C5	118.9 (6)
Br—Cu1—N1	105.79 (16)	N1—C5—C4	124.6 (6)
Br—Cu1—Bri	108.79 (4)	C3—C6—C6iii	124.9 (7)
Br—Cu1—Brii	110.86 (4)	N1—C1—H1	118.00
Bri—Cu1—N1	119.11 (16)	C2—C1—H1	118.00
Brii—Cu1—N1	109.30 (16)	C1—C2—H2	120.00
Bri—Cu1—Brii	102.99 (4)	C3—C2—H2	120.00
Cu1—N1—C1	121.2 (4)	C3—C4—H4	121.00
Cu1—N1—C5	122.8 (4)	C5—C4—H4	121.00
C1—N1—C5	115.9 (5)	N1—C5—H5	118.00
N1—C1—C2	123.5 (6)	C4—C5—H5	118.00
C1—C2—C3	120.3 (7)	C3—C6—H6	118.00
C2—C3—C4	116.8 (6)	C6iii—C6—H6	118.00
Cu1i—Br—Cu1—N1	−129.06 (17)	Bri—Cu1—N1—C1	−97.7 (5)
Cu1ii—Br—Cu1—N1	118.37 (17)	Cu1—N1—C1—C2	−178.8 (6)
Cu1i—Br—Cu1—Bri	0.00 (4)	C5—N1—C1—C2	−1.0 (10)
Cu1ii—Br—Cu1—Bri	−112.57 (5)	Cu1—N1—C5—C4	179.0 (6)
Cu1i—Br—Cu1—Brii	112.57 (5)	C1—N1—C5—C4	1.2 (10)
Cu1ii—Br—Cu1—Brii	0.00 (4)	N1—C1—C2—C3	1.1 (11)
Cu1i—Bri—Cu1—N1	121.22 (19)	C1—C2—C3—C4	−1.3 (11)
Cu1ii—Brii—Cu1—Br	0.00 (4)	C1—C2—C3—C6	178.4 (7)
Cu1ii—Brii—Cu1—N1	−116.22 (17)	C2—C3—C4—C5	1.4 (10)
Cu1i—Bri—Cu1—Br	0.00 (5)	C6—C3—C4—C5	−178.3 (7)
Brii—Cu1—N1—C1	144.4 (5)	C2—C3—C6—C6iii	−176.7 (7)
Brii—Cu1—N1—C5	−33.2 (6)	C4—C3—C6—C6iii	3.0 (12)
Bri—Cu1—N1—C5	84.7 (5)	C3—C4—C5—N1	−1.5 (11)
Br—Cu1—N1—C1	25.0 (5)	C3—C6—C6iii—C3iii	−180.0 (7)
Br—Cu1—N1—C5	−152.6 (5)

Br—Cu1	2.5645 (12)
Br—Cu1i	2.4723 (13)
Br—Cu1ii	2.5195 (13)
N1—Cu1	2.009 (5)

Br—Cu1—N1	105.79 (16)
Br—Cu1—Bri	108.79 (4)
Br—Cu1—Brii	110.86 (4)
Bri—Cu1—N1	119.11 (16)
Brii—Cu1—N1	109.30 (16)
Bri—Cu1—Brii	102.99 (4)

Symmetry codes: (i) ; (ii) .