Dibromido(2,9-dimethyl-1,10-phenanthroline-κ2 N,N′)cobalt(II) acetonitrile monosolvate

Sadif A Shirvan; Manouchehr Aghajeri; Sara Haydari Dezfuli; Fereydoon Khazali; Ali Borsalani

doi:10.1107/S160053681204367X

. 2012 Oct 27;68(Pt 11):m1407. doi: 10.1107/S160053681204367X

Dibromido(2,9-dimethyl-1,10-phenanthroline-κ² N,N′)cobalt(II) acetonitrile monosolvate

Sadif A Shirvan ^a,^*, Manouchehr Aghajeri ^a, Sara Haydari Dezfuli ^a, Fereydoon Khazali ^a, Ali Borsalani ^b

PMCID: PMC3515147 PMID: 23284374

Abstract

In the title compound, [CoBr₂(C₁₄H₁₂N₂)]·CH₃CN, the Co^II atom is four-coordinated in a distorted tetrahedral geometry by two N atoms from a chelating 2,9-dimethyl-1,10-phenanthroline ligand and two terminal Br atoms. In the crystal, π–π contacts between the pyridine and benzene rings [centroid–centroid distances = 3.828 (5), 3.782 (5), 3.880 (5) and 3.646 (5) Å] stabilize the structure.

Related literature

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

Experimental

Crystal data

[CoBr₂(C₁₄H₁₂N₂)]·C₂H₃N
M _r = 468.04
Monoclinic,
a = 7.6380 (5) Å
b = 12.7943 (6) Å
c = 17.9545 (11) Å
β = 101.128 (5)°
V = 1721.58 (18) Å³
Z = 4
Mo Kα radiation
μ = 5.64 mm⁻¹
T = 120 K
0.35 × 0.20 × 0.15 mm

Data collection

Bruker APEXII CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2001 ▶) T _min = 0.259, T _max = 0.459
8417 measured reflections
3366 independent reflections
2345 reflections with I > 2σ(I)
R _int = 0.101

Refinement

R[F ² > 2σ(F ²)] = 0.075
wR(F ²) = 0.194
S = 1.02
3366 reflections
200 parameters
H-atom parameters constrained
Δρ_max = 1.11 e Å⁻³
Δρ_min = −1.03 e Å⁻³

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, 1997 ▶) and Mercury (Macrae et al., 2006 ▶); software used to prepare material for publication: SHELXTL (Sheldrick, 2008 ▶).

Supplementary Material

Click here for additional data file.^{(19KB, cif)}

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S160053681204367X/hy2596sup1.cif

e-68-m1407-sup1.cif^{(19KB, cif)}

Click here for additional data file.^{(165.1KB, hkl)}

Structure factors: contains datablock(s) I. DOI: 10.1107/S160053681204367X/hy2596Isup2.hkl

e-68-m1407-Isup2.hkl^{(165.1KB, hkl)}

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

Table 1. Selected bond lengths (Å).

Co1—N1	2.051 (8)
Co1—N2	2.036 (8)
Co1—Br1	2.3592 (14)
Co1—Br2	2.3682 (14)

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Acknowledgments

We are grateful to the Omidieh Branch, Islamic Azad University, for financial support.

supplementary crystallographic information

Comment

2,9-Dimethyl-1,10-phenanthroline (dmphen) is a good bidentate ligand, and numerous complexes with dmphen have been prepared, such as that of mercury (Alizadeh et al., 2009), 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 Co^II atom is four-coordinated in a distorted tetrahedral geometry by two N atoms from a chelating dmphen ligand and two terminal Br atoms. The Co—Br and Co—N bond lengths (Table 1) and angles are normal. In the crystal, π–π contacts between the pyridine and benzene rings (Fig. 2), Cg3···Cg3ⁱ, Cg3···Cg4ⁱ, Cg3···Cg4ⁱⁱ and Cg4···Cg4ⁱⁱ [symmetry codes: (i) -x, 1-y, 1-z; (ii) 1-x, 1-y, 1-z, Cg3 and Cg4 are the centroids of the N2, C8–C11, C13 ring and C5–C8, C13, C14 ring, respectively], with centroid–centroid distances of 3.828 (5), 3.782 (5), 3.880 (5) and 3.646 (5) Å, stabilize the structure.

Experimental

For the preparation of the title compound, a solution of 2,9-dimethyl-1,10-phenanthroline (0.28 g, 1.33 mmol) in methanol (20 ml) was added to a solution of CoBr₂ (0.29 g, 1.33 mmol) in acetonitrile (15 ml) and the resulting blue solution was stirred for 15 min at 313 K. This solution was left to evaporate slowly at room temperature. After one week, blue block crystals of the title compound were isolated (yield: 0.46 g, 73.9%).