Bis{μ-1-[(2-ethyl-1H-imidazol-1-yl)meth­yl]-1H-benzotriazole}bis­(iodido­cadmium)

Xia Wang; Jun-long Niu

doi:10.1107/S1600536811021179

. 2011 Jun 11;67(Pt 7):m882. doi: 10.1107/S1600536811021179

Bis{μ-1-[(2-ethyl-1H-imidazol-1-yl)methyl]-1H-benzotriazole}bis(iodidocadmium)

Xia Wang ^a,^*, Jun-long Niu ^b

PMCID: PMC3152091 PMID: 21836875

Abstract

The dinuclear title complex, [Cd₂I₄(C₁₂H₁₃N₅)₂], lies on a crystallographic center of inversion. The Cd^II atom is four-coordinated by two N atoms from two 1-[(2-ethyl-1H-imidazol-1-yl)methyl]-1H-benzotriazole (bmei) ligands and two terminal I atoms in a distorted tetrahedral coordination environment. The Cd^II atoms are connected to each other by two bridging bmei ligands. The benzotriazole rings in adjacent molecules are almost parallel, with an average interplanar distance of 3.3400 (2) Å and a centroid–centroid distance of 4.852 (2) Å.

Related literature

For related structures, see: Meng et al. (2009 ▶); Huang et al. (2006 ▶); Zhai et al. (2006 ▶); Wang et al. (2010 ▶).

Experimental

Crystal data

[Cd₂I₄(C₁₂H₁₃N₅)₂]
M _r = 1186.95
Triclinic,
a = 7.8323 (4) Å
b = 10.0657 (6) Å
c = 11.2335 (7) Å
α = 78.849 (5)°
β = 86.020 (5)°
γ = 77.538 (5)°
V = 848.08 (9) Å³
Z = 1
Mo Kα radiation
μ = 4.93 mm⁻¹
T = 290 K
0.25 × 0.21 × 0.15 mm

Data collection

Agilent Xcalibur Eos Gemini diffractometer
Absorption correction: Gaussian [numerical absorption correction based on Gaussian integration over a multifaceted crystal model (CrysAlis PRO; Agilent, 2010 ▶)] T _min = 0.287, T _max = 0.487
13998 measured reflections
3462 independent reflections
2961 reflections with I > 2σ(I)
R _int = 0.031

Refinement

R[F ² > 2σ(F ²)] = 0.027
wR(F ²) = 0.061
S = 1.08
3462 reflections
182 parameters
H-atom parameters constrained
Δρ_max = 0.82 e Å⁻³
Δρ_min = −1.05 e Å⁻³

Data collection: CrysAlis PRO (Agilent, 2010 ▶); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: OLEX2 (Dolomanov et al., 2009 ▶); software used to prepare material for publication: OLEX2 and publCIF (Westrip, 2010 ▶).

Supplementary Material

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536811021179/zq2107sup1.cif

e-67-0m882-sup1.cif^{(18.2KB, cif)}

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811021179/zq2107Isup2.hkl

e-67-0m882-Isup2.hkl^{(169.8KB, hkl)}

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

Acknowledgments

The authors thank Professor Hong-Wei Hou and Yu Zhu of Zhengzhou University for their help.

supplementary crystallographic information

Comment

Imidazole and benzotriazole derivatives have been widely used in the construction of complexes since they can act as polydentate ligands and function as bridging ligands (Meng et al., 2009; Huang et al., 2006). The Cd^II atom is a good model atom to construct complexes owing to its property to form bonds with different donors simultaneously, and to its various modes (Zhai et al., 2006; Wang et al., 2010). In this work, through the reaction of 1-[(2-ethyl-1H-imidazol-1-yl)methyl]-1H-benzotriazole (bmei) with cadmium iodide at room temperature, we obtained the title complex [Cd₂(C₁₂H₁₃N₅)₂I₂], which is reported here.

The dinuclear title complex, [Cd₂(C₁₂H₁₃N₅)₂I₂], lies on a crystallographic center of inversion. The Cd^II atom is four-coordinated by two N atoms from two 1-[(2-ethyl-1H-imidazol-1-yl)methyl]-1H-benzotriazole (bmei) ligands and two terminal I atoms in a distorted tetrahedral coordination environment. The Cd^II atoms are connected by two bridging bmei ligands (Fig. 1). The distance between two Cd atoms bridged by two bmei ligands is 8.4983 (7) Å. In addition, the benzotriazole rings in adjacent molecules are almost parallel with an average interplanar distance of 3.3400 (2) Å and a centroid-centroid distance of 4.852 (2) Å.

Experimental

The ligand 1-[(2-ethyl-1H-imidazol-1-yl)methyl]-1H-benzotriazole (0.04 mmol, 0.0096 g) in methanol (6 ml) was added dropwise to a methanol solution (6 ml) of CdI2 (0.04 mmol, 0.0146 g) in methanol. The resulting solution was allowed to stand at room temperature. After two weeks good quality colourless crystals were obtained from the dried in air.