Dibromido(2,9-dimethyl-1,10-phenanthroline-κ2N,N′)(dimethyl sulfoxide-κO)cadmium

Moghanlou, K.

doi:10.1107/S1600536812050106

metal-organic compounds

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Volume 69| Part 1| January 2013| Page m49

https://doi.org/10.1107/S1600536812050106

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Dibromido(2,9-dimethyl-1,10-phenanthroline-κ²N,N′)(dimethyl sulfoxide-κO)cadmium

Khadijeh Moghanlou ^a ^*

^aDepartment of Chemistry, North Tehran Branch, Islamic Azad University, Tehran, Iran
^*Correspondence e-mail: k_moghanlou@yahoo.com

(Received 3 December 2012; accepted 7 December 2012; online 12 December 2012)

In the molecule of the title compound, [CdBr₂(C₁₄H₁₂N₂)(C₂H₆OS)], the Cd^II atom is five-coordinated in a distorted trigonal–bipyramidal configuration by two N atoms from a 2,9-dimethyl-1,10-phenanthroline ligand, one O atom from a dimethyl sulfoxide ligand and two Br atoms. In the crystal, π–π contacts between the pyridine and benzene rings [centroid–centroid distances = 3.710 (5), 3.711 (6) and 3.627 (5) Å] stabilize the structure.

Related literature

For related structures, see: Akbarzadeh Torbati et al. (2010 ); Alizadeh et al. (2009 ); Armentano et al. (2006 ); Ding et al. (2006 ); Fanizzi et al. (1991 ); Lemoine et al. (2003 ); Robinson & Sinn (1975 ).

Experimental

Crystal data

[CdBr₂(C₁₄H₁₂N₂)(C₂H₆OS)]
M_r = 558.60
Monoclinic, P 2₁ /c
a = 8.1468 (9) Å
b = 17.3814 (15) Å
c = 13.6369 (13) Å
β = 95.724 (9)°
V = 1921.4 (3) Å³
Z = 4
Mo Kα radiation
μ = 5.42 mm⁻¹
T = 298 K
0.42 × 0.22 × 0.17 mm

Data collection

Bruker APEXII CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2001 ) T_min = 0.222, T_max = 0.325
15831 measured reflections
3766 independent reflections
2196 reflections with I > 2σ(I)
R_int = 0.108

Refinement

R[F² > 2σ(F²)] = 0.057
wR(F²) = 0.127
S = 0.94
3766 reflections
208 parameters
H-atom parameters constrained
Δρ_max = 1.02 e Å⁻³
Δρ_min = −1.06 e Å⁻³

Table 1
Selected bond lengths (Å)

Cd1—N1	2.386 (6)
Cd1—N2	2.331 (6)
Cd1—O1	2.361 (6)
Cd1—Br1	2.5483 (11)
Cd1—Br2	2.6335 (11)

Data collection: APEX2 (Bruker, 2007 ); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 2012 ) and Mercury (Macrae et al., 2006 ); software used to prepare material for publication: SHELXL97.

Supporting information

Crystal structure: contains datablocks I, global. DOI: https://doi.org/10.1107/S1600536812050106/hy2608sup1.cif

Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S1600536812050106/hy2608Isup2.hkl

checkCIF report

Comment top

2,9-Dimethyl-1,10-phenanthroline (Me₂phen) is a good bidentate ligand, and numerous complexes with Me₂phen have been prepared, such as that of mercury (Alizadeh et al., 2009), iron (Armentano et al., 2006), copper (Lemoine et al., 2003), nickel (Ding et al., 2006), gold (Robinson & Sinn, 1975), platinum (Fanizzi et al., 1991) and cobalt (Akbarzadeh Torbati et al., 2010). Here, we report the synthesis and structure of the title compound.

In the title compound (Fig. 1), the Cd^II atom is five-coordinated in a distorted trigonal-bipyramidal configuration by two N atoms from a 2,9-dimethyl-1,10-phenanthroline ligand, one O atom from a dimethyl sulfoxide ligand and two Br atoms (Table 1). In the crystal, π–π contacts between the pyridine and benzene rings, Cg2···Cg3ⁱ, Cg2···Cg4ⁱ and Cg3···Cg4ⁱⁱ [symmetry codes: (i) -x, 1-y, 2-z; (ii) 1-x, 1-y, 2-z, Cg2, Cg3 and Cg4 are the centroids of the N1/C2–C5/C14, N2/C8–C11/C13 and C5–C8/C13/C14 rings, respectively], with centroid–centroid distances of 3.710 (5), 3.711 (6) and 3.627 (5) Å, stabilize the structure (Fig. 2).

Related literature top

For related structures, see: Akbarzadeh Torbati et al. (2010); Alizadeh et al. (2009); Armentano et al. (2006); Ding et al. (2006); Fanizzi et al. (1991); Lemoine et al. (2003); Robinson & Sinn (1975).

Experimental top

For the preparation of the title compound, a solution of 2,9-dimethyl-1,10-phenanthroline (0.42 g, 2.00 mmol) in methanol (15 ml) was added to a solution of CdBr₂.4H₂O, (0.69 g, 2.00 mmol) in methanol (15 ml) at room temperature. Crystals suitable for X-ray diffraction experiment were obtained by methanol diffusion into a colorless solution in DMSO after five days (yield: 0.85 g, 76.1%).

Structure description top

For related structures, see: Akbarzadeh Torbati et al. (2010); Alizadeh et al. (2009); Armentano et al. (2006); Ding et al. (2006); Fanizzi et al. (1991); Lemoine et al. (2003); Robinson & Sinn (1975).

Computing details top

Data collection: APEX2 (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT (Bruker, 2007); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 2012) and Mercury (Macrae et al., 2006); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).

Figures top

	Fig. 1. The molecular structure of the title compound. Displacement ellipsoids are drawn at the 30% probability level.
	Fig. 2. Crystal packing diagram for the title compound.

Dibromido(2,9-dimethyl-1,10-phenanthroline-κ²N,N')(dimethyl sulfoxide-κO)cadmium top

Crystal data top

[CdBr₂(C₁₄H₁₂N₂)(C₂H₆OS)]	F(000) = 1080
M_r = 558.60	D_x = 1.936 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 15831 reflections
a = 8.1468 (9) Å	θ = 1.9–26.0°
b = 17.3814 (15) Å	µ = 5.42 mm⁻¹
c = 13.6369 (13) Å	T = 298 K
β = 95.724 (9)°	Block, colorless
V = 1921.4 (3) Å³	0.42 × 0.22 × 0.17 mm
Z = 4

Data collection top

Bruker APEXII CCD diffractometer	3766 independent reflections
Radiation source: fine-focus sealed tube	2196 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.108
φ and ω scans	θ_max = 26.0°, θ_min = 1.9°
Absorption correction: multi-scan (SADABS; Bruker, 2001)	h = −10→10
T_min = 0.222, T_max = 0.325	k = −21→21
15831 measured reflections	l = −15→16

Refinement top

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)] = 0.057	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.127	H-atom parameters constrained
S = 0.94	w = 1/[σ²(F_o²) + (0.062P)²] where P = (F_o² + 2F_c²)/3
3766 reflections	(Δ/σ)_max = 0.004
208 parameters	Δρ_max = 1.02 e Å⁻³
0 restraints	Δρ_min = −1.06 e Å⁻³

Crystal data top

[CdBr₂(C₁₄H₁₂N₂)(C₂H₆OS)]	V = 1921.4 (3) Å³
M_r = 558.60	Z = 4
Monoclinic, P2₁/c	Mo Kα radiation
a = 8.1468 (9) Å	µ = 5.42 mm⁻¹
b = 17.3814 (15) Å	T = 298 K
c = 13.6369 (13) Å	0.42 × 0.22 × 0.17 mm
β = 95.724 (9)°

Data collection top

Bruker APEXII CCD diffractometer	3766 independent reflections
Absorption correction: multi-scan (SADABS; Bruker, 2001)	2196 reflections with I > 2σ(I)
T_min = 0.222, T_max = 0.325	R_int = 0.108
15831 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.057	0 restraints
wR(F²) = 0.127	H-atom parameters constrained
S = 0.94	Δρ_max = 1.02 e Å⁻³
3766 reflections	Δρ_min = −1.06 e Å⁻³
208 parameters

Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
C1	−0.0593 (14)	0.2673 (6)	0.8844 (10)	0.096 (4)
H1A	0.0219	0.2463	0.8456	0.115*
H1B	−0.1421	0.2938	0.8423	0.115*
H1C	−0.1097	0.2263	0.9180	0.115*
C2	0.0215 (11)	0.3221 (5)	0.9583 (8)	0.064 (3)
C3	0.0114 (13)	0.3105 (7)	1.0594 (10)	0.085 (4)
H3	−0.0431	0.2677	1.0810	0.102*
C4	0.0811 (14)	0.3619 (8)	1.1251 (9)	0.085 (3)
H4	0.0748	0.3545	1.1921	0.102*
C5	0.1625 (11)	0.4262 (6)	1.0924 (7)	0.062 (2)
C6	0.2357 (14)	0.4818 (7)	1.1589 (7)	0.075 (3)
H6	0.2307	0.4759	1.2263	0.090*
C7	0.3105 (13)	0.5414 (7)	1.1252 (7)	0.076 (3)
H7	0.3584	0.5773	1.1699	0.091*
C8	0.3216 (9)	0.5535 (5)	1.0220 (6)	0.051 (2)
C9	0.3992 (11)	0.6171 (6)	0.9837 (8)	0.068 (3)
H9	0.4516	0.6532	1.0264	0.082*
C10	0.3987 (11)	0.6265 (5)	0.8869 (9)	0.070 (3)
H10	0.4490	0.6692	0.8617	0.084*
C11	0.3206 (11)	0.5706 (5)	0.8227 (7)	0.059 (2)
C12	0.3144 (15)	0.5823 (6)	0.7120 (8)	0.089 (4)
H12A	0.2016	0.5831	0.6839	0.107*
H12B	0.3717	0.5410	0.6834	0.107*
H12C	0.3660	0.6304	0.6987	0.107*
C13	0.2514 (9)	0.4992 (4)	0.9535 (6)	0.0415 (18)
C14	0.1699 (9)	0.4338 (5)	0.9909 (6)	0.048 (2)
C15	0.5347 (12)	0.3392 (7)	0.5318 (8)	0.091 (4)
H15A	0.5942	0.3188	0.5904	0.110*
H15B	0.5888	0.3848	0.5118	0.110*
H15C	0.5318	0.3015	0.4801	0.110*
C16	0.2687 (17)	0.4141 (8)	0.4484 (8)	0.105 (4)
H16A	0.3515	0.4513	0.4365	0.126*
H16B	0.1670	0.4400	0.4568	0.126*
H16C	0.2524	0.3796	0.3933	0.126*
N1	0.0990 (8)	0.3812 (4)	0.9263 (5)	0.0505 (17)
N2	0.2556 (7)	0.5071 (3)	0.8554 (4)	0.0434 (15)
O1	0.3558 (8)	0.4221 (4)	0.6386 (4)	0.0707 (17)
Cd1	0.18778 (7)	0.39536 (3)	0.76580 (4)	0.04942 (19)
Br1	−0.07113 (13)	0.39818 (7)	0.64445 (8)	0.0862 (4)
Br2	0.36845 (12)	0.27030 (5)	0.79524 (7)	0.0636 (3)
S1	0.3331 (3)	0.36172 (15)	0.55550 (18)	0.0659 (6)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
C1	0.072 (7)	0.067 (7)	0.154 (12)	−0.016 (6)	0.041 (7)	0.003 (7)
C2	0.055 (5)	0.044 (5)	0.093 (8)	0.007 (4)	0.017 (5)	0.013 (5)
C3	0.070 (7)	0.075 (8)	0.118 (10)	0.024 (6)	0.052 (7)	0.047 (7)
C4	0.086 (8)	0.104 (9)	0.068 (7)	0.038 (7)	0.025 (6)	0.032 (7)
C5	0.062 (6)	0.075 (6)	0.052 (6)	0.029 (5)	0.021 (5)	0.019 (5)
C6	0.091 (8)	0.088 (8)	0.047 (6)	0.038 (7)	0.011 (5)	0.014 (6)
C7	0.081 (7)	0.093 (9)	0.050 (6)	0.038 (6)	−0.010 (5)	−0.025 (5)
C8	0.042 (4)	0.049 (5)	0.061 (6)	0.010 (4)	0.005 (4)	−0.013 (4)
C9	0.055 (5)	0.069 (7)	0.080 (7)	0.010 (5)	0.004 (5)	−0.028 (5)
C10	0.057 (6)	0.051 (6)	0.106 (9)	−0.001 (4)	0.025 (6)	−0.021 (5)
C11	0.064 (6)	0.043 (5)	0.076 (6)	0.007 (4)	0.033 (5)	−0.007 (4)
C12	0.140 (10)	0.049 (6)	0.087 (8)	−0.008 (6)	0.050 (8)	0.014 (5)
C13	0.035 (4)	0.042 (5)	0.048 (5)	0.009 (3)	0.004 (3)	−0.006 (3)
C14	0.037 (4)	0.055 (5)	0.052 (5)	0.023 (4)	0.011 (4)	0.002 (4)
C15	0.072 (7)	0.109 (10)	0.091 (8)	0.012 (6)	0.003 (6)	−0.037 (7)
C16	0.123 (10)	0.116 (11)	0.073 (8)	0.033 (8)	−0.006 (7)	0.006 (7)
N1	0.040 (4)	0.050 (4)	0.062 (5)	0.007 (3)	0.011 (3)	0.008 (3)
N2	0.049 (4)	0.041 (4)	0.043 (4)	0.001 (3)	0.018 (3)	−0.004 (3)
O1	0.090 (5)	0.066 (4)	0.058 (4)	−0.004 (3)	0.016 (3)	−0.011 (3)
Cd1	0.0506 (3)	0.0497 (3)	0.0470 (3)	0.0041 (3)	0.0002 (2)	−0.0050 (3)
Br1	0.0643 (6)	0.0998 (9)	0.0882 (8)	0.0266 (6)	−0.0238 (5)	−0.0290 (6)
Br2	0.0725 (6)	0.0576 (6)	0.0593 (6)	0.0198 (5)	−0.0008 (4)	−0.0025 (4)
S1	0.0765 (16)	0.0627 (15)	0.0587 (15)	−0.0006 (12)	0.0080 (12)	−0.0057 (11)

Geometric parameters (Å, º) top

C1—C2	1.491 (15)	C11—N2	1.321 (10)
C1—H1A	0.9600	C11—C12	1.519 (13)
C1—H1B	0.9600	C12—H12A	0.9600
C1—H1C	0.9600	C12—H12B	0.9600
C2—N1	1.304 (10)	C12—H12C	0.9600
C2—C3	1.404 (14)	C13—N2	1.349 (9)
C3—C4	1.349 (16)	C13—C14	1.435 (11)
C3—H3	0.9300	C14—N1	1.358 (11)
C4—C5	1.395 (15)	C15—S1	1.750 (10)
C4—H4	0.9300	C15—H15A	0.9600
C5—C14	1.398 (11)	C15—H15B	0.9600
C5—C6	1.415 (15)	C15—H15C	0.9600
C6—C7	1.309 (14)	C16—S1	1.757 (11)
C6—H6	0.9300	C16—H16A	0.9600
C7—C8	1.435 (13)	C16—H16B	0.9600
C7—H7	0.9300	C16—H16C	0.9600
C8—C9	1.399 (13)	Cd1—N1	2.386 (6)
C8—C13	1.409 (11)	Cd1—N2	2.331 (6)
C9—C10	1.330 (14)	O1—S1	1.542 (6)
C9—H9	0.9300	Cd1—O1	2.361 (6)
C10—C11	1.416 (13)	Cd1—Br1	2.5483 (11)
C10—H10	0.9300	Cd1—Br2	2.6335 (11)

C2—C1—H1A	109.5	H12A—C12—H12C	109.5
C2—C1—H1B	109.5	H12B—C12—H12C	109.5
H1A—C1—H1B	109.5	N2—C13—C8	122.7 (7)
C2—C1—H1C	109.5	N2—C13—C14	119.4 (7)
H1A—C1—H1C	109.5	C8—C13—C14	117.8 (7)
H1B—C1—H1C	109.5	N1—C14—C5	121.4 (8)
N1—C2—C3	121.3 (10)	N1—C14—C13	119.0 (7)
N1—C2—C1	118.3 (9)	C5—C14—C13	119.7 (8)
C3—C2—C1	120.4 (10)	S1—C15—H15A	109.5
C4—C3—C2	119.7 (10)	S1—C15—H15B	109.5
C4—C3—H3	120.2	H15A—C15—H15B	109.5
C2—C3—H3	120.2	S1—C15—H15C	109.5
C3—C4—C5	120.0 (10)	H15A—C15—H15C	109.5
C3—C4—H4	120.0	H15B—C15—H15C	109.5
C5—C4—H4	120.0	S1—C16—H16A	109.5
C4—C5—C14	117.5 (10)	S1—C16—H16B	109.5
C4—C5—C6	121.7 (10)	H16A—C16—H16B	109.5
C14—C5—C6	120.8 (9)	S1—C16—H16C	109.5
C7—C6—C5	119.8 (9)	H16A—C16—H16C	109.5
C7—C6—H6	120.1	H16B—C16—H16C	109.5
C5—C6—H6	120.1	C2—N1—C14	120.2 (8)
C6—C7—C8	122.5 (10)	C2—N1—Cd1	126.1 (6)
C6—C7—H7	118.7	C14—N1—Cd1	112.2 (5)
C8—C7—H7	118.7	C11—N2—C13	118.0 (7)
C9—C8—C13	116.8 (8)	C11—N2—Cd1	127.0 (5)
C9—C8—C7	123.8 (9)	C13—N2—Cd1	114.0 (5)
C13—C8—C7	119.4 (9)	S1—O1—Cd1	111.7 (3)
C10—C9—C8	120.7 (9)	N2—Cd1—O1	95.5 (2)
C10—C9—H9	119.6	N2—Cd1—N1	71.5 (2)
C8—C9—H9	119.6	O1—Cd1—N1	161.0 (2)
C9—C10—C11	119.0 (9)	N2—Cd1—Br1	117.50 (16)
C9—C10—H10	120.5	O1—Cd1—Br1	91.26 (17)
C11—C10—H10	120.5	N1—Cd1—Br1	106.91 (16)
N2—C11—C10	122.4 (9)	N2—Cd1—Br2	120.54 (16)
N2—C11—C12	118.2 (8)	O1—Cd1—Br2	85.32 (17)
C10—C11—C12	119.3 (9)	N1—Cd1—Br2	89.49 (15)
C11—C12—H12A	109.5	Br1—Cd1—Br2	121.92 (4)
C11—C12—H12B	109.5	O1—S1—C15	104.0 (5)
H12A—C12—H12B	109.5	O1—S1—C16	105.2 (5)
C11—C12—H12C	109.5	C15—S1—C16	99.8 (6)

N1—C2—C3—C4	0.9 (14)	C5—C14—N1—Cd1	−166.5 (6)
C1—C2—C3—C4	−178.1 (10)	C13—C14—N1—Cd1	14.6 (8)
C2—C3—C4—C5	0.1 (15)	C10—C11—N2—C13	6.0 (11)
C3—C4—C5—C14	−0.8 (14)	C12—C11—N2—C13	−175.7 (8)
C3—C4—C5—C6	179.4 (9)	C10—C11—N2—Cd1	−162.1 (6)
C4—C5—C6—C7	−179.8 (9)	C12—C11—N2—Cd1	16.2 (11)
C14—C5—C6—C7	0.4 (14)	C8—C13—N2—C11	−3.7 (10)
C5—C6—C7—C8	0.2 (15)	C14—C13—N2—C11	175.0 (7)
C6—C7—C8—C9	179.3 (9)	C8—C13—N2—Cd1	165.9 (5)
C6—C7—C8—C13	−0.7 (13)	C14—C13—N2—Cd1	−15.3 (8)
C13—C8—C9—C10	3.0 (12)	C11—N2—Cd1—O1	19.0 (7)
C7—C8—C9—C10	−177.0 (8)	C13—N2—Cd1—O1	−149.5 (5)
C8—C9—C10—C11	−1.0 (13)	C11—N2—Cd1—N1	−175.2 (7)
C9—C10—C11—N2	−3.7 (13)	C13—N2—Cd1—N1	16.3 (5)
C9—C10—C11—C12	177.9 (9)	C11—N2—Cd1—Br1	−75.4 (7)
C9—C8—C13—N2	−0.6 (11)	C13—N2—Cd1—Br1	116.1 (5)
C7—C8—C13—N2	179.4 (7)	C11—N2—Cd1—Br2	106.8 (7)
C9—C8—C13—C14	−179.5 (7)	C13—N2—Cd1—Br2	−61.7 (5)
C7—C8—C13—C14	0.5 (10)	S1—O1—Cd1—N2	−175.0 (4)
C4—C5—C14—N1	0.7 (11)	S1—O1—Cd1—N1	139.3 (6)
C6—C5—C14—N1	−179.5 (8)	S1—O1—Cd1—Br1	−57.2 (4)
C4—C5—C14—C13	179.6 (8)	S1—O1—Cd1—Br2	64.7 (4)
C6—C5—C14—C13	−0.6 (11)	C2—N1—Cd1—N2	178.3 (7)
N2—C13—C14—N1	0.2 (10)	C14—N1—Cd1—N2	−15.9 (5)
C8—C13—C14—N1	179.0 (6)	C2—N1—Cd1—O1	−133.1 (8)
N2—C13—C14—C5	−178.8 (7)	C14—N1—Cd1—O1	32.7 (10)
C8—C13—C14—C5	0.1 (10)	C2—N1—Cd1—Br1	64.2 (7)
C3—C2—N1—C14	−1.0 (12)	C14—N1—Cd1—Br1	−130.0 (5)
C1—C2—N1—C14	177.9 (8)	C2—N1—Cd1—Br2	−59.1 (7)
C3—C2—N1—Cd1	163.7 (6)	C14—N1—Cd1—Br2	106.7 (5)
C1—C2—N1—Cd1	−17.3 (11)	Cd1—O1—S1—C15	−134.0 (5)
C5—C14—N1—C2	0.2 (11)	Cd1—O1—S1—C16	121.6 (5)
C13—C14—N1—C2	−178.7 (7)

Experimental details

Crystal data
Chemical formula	[CdBr₂(C₁₄H₁₂N₂)(C₂H₆OS)]
M_r	558.60
Crystal system, space group	Monoclinic, P2₁/c
Temperature (K)	298
a, b, c (Å)	8.1468 (9), 17.3814 (15), 13.6369 (13)
β (°)	95.724 (9)
V (Å³)	1921.4 (3)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	5.42
Crystal size (mm)	0.42 × 0.22 × 0.17

Data collection
Diffractometer	Bruker APEXII CCD
Absorption correction	Multi-scan (SADABS; Bruker, 2001)
T_min, T_max	0.222, 0.325
No. of measured, independent and observed [I > 2σ(I)] reflections	15831, 3766, 2196
R_int	0.108
(sin θ/λ)_max (Å⁻¹)	0.617

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.057, 0.127, 0.94
No. of reflections	3766
No. of parameters	208
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	1.02, −1.06

Computer programs: APEX2 (Bruker, 2007), SAINT (Bruker, 2007), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), ORTEP-3 (Farrugia, 2012) and Mercury (Macrae et al., 2006).

Selected bond lengths (Å) top

Cd1—N1	2.386 (6)	Cd1—Br1	2.5483 (11)
Cd1—N2	2.331 (6)	Cd1—Br2	2.6335 (11)
Cd1—O1	2.361 (6)

Acknowledgements

The author thanks the Graduate Study Councils of the Islamic Azad University, North Tehran Branch, for financial support.

References

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