catena-Poly[[(5,5'-dimethyl-2,2'-bipyridine-κ(2)N,N')cadmium]-di-μ-bromido].

In the crystal of the title polymeric compound, [CdBr(2)(C(12)H(12)N(2))](n), the Cd(II) cation is located on a twofold rotation axis. The Cd(II) cation is six-coordinated in a distorted octa-hedral geometry formed by two N atoms from the 5,5'-dimethyl-2,2'-bipyridine ligand and four bridging Br(-) anions. The bridging function of the Br(-) anions leads to a polymeric chain running along the c axis.

Related literature

For related structures, see: Ahmadi et al. (2008 ▶, 2010 ▶); Albada et al. (2004 ▶); Amani et al. (2007 ▶, 2009 ▶); Han et al. (2006 ▶); Kalateh et al. (2010 ▶); Karaca et al. (2009 ▶); Khalighi et al. (2008 ▶); Maheshwari et al. (2007 ▶); Tadayon Pour et al. (2008 ▶); Zhang (2007 ▶).

Experimental

Crystal data

[CdBr2(n class="CellLine">C12H12N2)]

M = 456.45

Monoclinic,

a = 19.637 (5) Å

b = 9.6563 (15) Å

c = 7.485 (2) Å

β = 104.76 (2)°

V = 1372.4 (6) Å3

Z = 4

Mo Kα radiation

μ = 7.39 mm−1

T = 298 K

0.12 × 0.11 × 0.09 mm

Data collection

Bruker APEXII Cn class="Chemical">CD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2001 ▶) T min = 0.435, T max = 0.548

5378 measured reflections

1346 independent reflections

1015 reflections with I > 2σ(I)

R int = 0.110

Refinement

R[F 2 > 2σ(F 2)] = 0.041

wR(F 2) = 0.091

S = 1.03

1346 reflections

78 parameters

H-atom parameters constrained

Δρmax = 0.85 e Å−3

Δρmin = −0.70 e Å−3

Data collection: APEX2 (Bruker, 2007 ▶); cell refinement: SAINT (n class="Chemical">Bruker, 2007 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536812023860/xu5547sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812023860/xu5547Isup2.hkl

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

[CdBr2(C12H12N2)]	F(000) = 864
Mr = 456.45	Dx = 2.209 Mg m−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
a = 19.637 (5) Å	Cell parameters from 5378 reflections
b = 9.6563 (15) Å	θ = 2.2–26.0°
c = 7.485 (2) Å	µ = 7.39 mm−1
β = 104.76 (2)°	T = 298 K
V = 1372.4 (6) Å3	Prism, colorless
Z = 4	0.12 × 0.11 × 0.09 mm

Bruker APEXII CCD area-detector diffractometer	1346 independent reflections
Radiation source: fine-focus sealed tube	1015 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.110
ω scans	θmax = 26.0°, θmin = 2.2°
Absorption correction: multi-scan (SADABS; Bruker, 2001)	h = −22→24
Tmin = 0.435, Tmax = 0.548	k = −10→11
5378 measured reflections	l = −9→9

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)] = 0.041	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.091	H-atom parameters constrained
S = 1.03	w = 1/[σ2(Fo2) + (0.0403P)2] where P = (Fo2 + 2Fc2)/3
1346 reflections	(Δ/σ)max = 0.004
78 parameters	Δρmax = 0.85 e Å−3
0 restraints	Δρmin = −0.70 e Å−3

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
C1	0.3751 (3)	0.2708 (6)	−0.0036 (8)	0.0498 (15)
H1	0.3565	0.1843	−0.0435	0.060*
C2	0.3367 (3)	0.3894 (7)	−0.0747 (9)	0.0549 (16)
C3	0.2663 (4)	0.3740 (9)	−0.2097 (11)	0.085 (3)
H3A	0.2355	0.3221	−0.1537	0.102*
H3B	0.2718	0.3261	−0.3175	0.102*
H3C	0.2465	0.4639	−0.2444	0.102*
C4	0.3660 (3)	0.5147 (7)	−0.0143 (9)	0.0600 (18)
H4	0.3423	0.5960	−0.0591	0.072*
C5	0.4299 (3)	0.5211 (6)	0.1118 (8)	0.0506 (15)
H5	0.4494	0.6067	0.1527	0.061*
C6	0.4659 (3)	0.4006 (5)	0.1792 (8)	0.0421 (13)
N1	0.4378 (2)	0.2774 (5)	0.1198 (6)	0.0412 (11)
Cd1	0.5000	0.07821 (6)	0.2500	0.0476 (2)
Br1	0.41572 (3)	−0.09792 (6)	0.02140 (9)	0.0507 (2)

	U11	U22	U33	U12	U13	U23
C1	0.041 (3)	0.047 (3)	0.054 (4)	−0.004 (3)	−0.001 (3)	0.008 (3)
C2	0.041 (3)	0.066 (4)	0.055 (4)	0.003 (3)	0.008 (3)	0.020 (3)
C3	0.048 (4)	0.109 (6)	0.086 (6)	0.006 (4)	−0.005 (4)	0.034 (5)
C4	0.055 (4)	0.061 (4)	0.069 (4)	0.026 (3)	0.026 (3)	0.029 (4)
C5	0.062 (4)	0.040 (3)	0.056 (4)	0.012 (3)	0.027 (3)	0.007 (3)
C6	0.044 (3)	0.036 (3)	0.049 (3)	0.003 (2)	0.017 (3)	0.007 (2)
N1	0.033 (2)	0.038 (2)	0.049 (3)	0.0021 (18)	0.003 (2)	0.006 (2)
Cd1	0.0456 (4)	0.0318 (3)	0.0530 (4)	0.000	−0.0102 (3)	0.000
Br1	0.0474 (4)	0.0423 (3)	0.0550 (4)	−0.0094 (2)	−0.0006 (3)	−0.0064 (2)

C1—N1	1.339 (6)	C5—C6	1.388 (8)
C1—C2	1.400 (8)	C5—H5	0.9300
C1—H1	0.9300	C6—N1	1.339 (7)
C2—C4	1.366 (10)	C6—C6i	1.481 (11)
C2—C3	1.497 (9)	Cd1—N1	2.352 (4)
C3—H3A	0.9600	Cd1—N1i	2.352 (4)
C3—H3B	0.9600	Cd1—Br1	2.6676 (8)
C3—H3C	0.9600	Cd1—Br1i	2.6676 (8)
C4—C5	1.366 (9)	Cd1—Br1ii	2.9351 (10)
C4—H4	0.9300	Cd1—Br1iii	2.9352 (10)
N1—C1—C2	122.3 (6)	C5—C6—C6i	123.0 (4)
N1—C1—H1	118.8	C6—N1—C1	120.0 (5)
C2—C1—H1	118.8	C6—N1—Cd1	117.6 (3)
C4—C2—C1	117.3 (5)	C1—N1—Cd1	122.4 (4)
C4—C2—C3	123.3 (6)	N1—Cd1—N1i	70.3 (2)
C1—C2—C3	119.4 (6)	N1—Cd1—Br1	94.81 (10)
C2—C3—H3A	109.5	N1i—Cd1—Br1	163.48 (11)
C2—C3—H3B	109.5	N1—Cd1—Br1i	163.48 (11)
H3A—C3—H3B	109.5	N1i—Cd1—Br1i	94.81 (10)
C2—C3—H3C	109.5	Br1—Cd1—Br1i	100.78 (4)
H3A—C3—H3C	109.5	N1—Cd1—Br1ii	84.78 (12)
H3B—C3—H3C	109.5	N1i—Cd1—Br1ii	89.13 (12)
C5—C4—C2	120.2 (6)	Br1—Cd1—Br1ii	96.79 (3)
C5—C4—H4	119.9	Br1i—Cd1—Br1ii	87.96 (3)
C2—C4—H4	119.9	N1—Cd1—Br1iii	89.13 (12)
C4—C5—C6	120.4 (6)	N1i—Cd1—Br1iii	84.78 (12)
C4—C5—H5	119.8	Br1—Cd1—Br1iii	87.96 (2)
C6—C5—H5	119.8	Br1i—Cd1—Br1iii	96.79 (3)
N1—C6—C5	119.7 (5)	Br1ii—Cd1—Br1iii	172.56 (3)
N1—C6—C6i	117.3 (3)	Cd1—Br1—Cd1iii	92.04 (3)
N1—C1—C2—C4	0.5 (10)	C1—N1—Cd1—N1i	−177.4 (6)
N1—C1—C2—C3	−178.9 (6)	C6—N1—Cd1—Br1	−172.9 (4)
C1—C2—C4—C5	−0.6 (10)	C1—N1—Cd1—Br1	10.0 (5)
C3—C2—C4—C5	178.8 (6)	C6—N1—Cd1—Br1i	26.4 (8)
C2—C4—C5—C6	0.2 (10)	C1—N1—Cd1—Br1i	−150.8 (4)
C4—C5—C6—N1	0.2 (10)	C6—N1—Cd1—Br1ii	90.7 (4)
C4—C5—C6—C6i	−177.8 (7)	C1—N1—Cd1—Br1ii	−86.4 (4)
C5—C6—N1—C1	−0.3 (9)	C6—N1—Cd1—Br1iii	−85.0 (4)
C6i—C6—N1—C1	177.8 (6)	C1—N1—Cd1—Br1iii	97.8 (4)
C5—C6—N1—Cd1	−177.5 (4)	N1—Cd1—Br1—Cd1iii	88.96 (12)
C6i—C6—N1—Cd1	0.5 (9)	N1i—Cd1—Br1—Cd1iii	63.9 (4)
C2—C1—N1—C6	−0.1 (9)	Br1i—Cd1—Br1—Cd1iii	−96.53 (2)
C2—C1—N1—Cd1	177.0 (5)	Br1ii—Cd1—Br1—Cd1iii	174.26 (2)
C6—N1—Cd1—N1i	−0.2 (3)	Br1iii—Cd1—Br1—Cd1iii	0.0

Table 1

Selected bond lengths (Å)

Cd1—N1	2.352 (4)
Cd1—Br1	2.6676 (8)
Cd1—Br1i	2.9351 (10)

Symmetry code: (i) .