Bis[μ2-1,2-bis­(imidazol-1-ylmeth­yl)benzene-κ2 N 3:N 3′]bis­[dichloridozinc(II)]

Meihong Hu; Shishen Zhang

doi:10.1107/S1600536809027044

. 2009 Jul 22;65(Pt 8):m970. doi: 10.1107/S1600536809027044

Bis[μ₂-1,2-bis(imidazol-1-ylmethyl)benzene-κ² N ³:N ^3′]bis[dichloridozinc(II)]

Meihong Hu ^a,^*, Shishen Zhang ^b

PMCID: PMC2977457 PMID: 21583414

Abstract

In the crystal structure of the centrosymmetric title compound, [Zn₂Cl₄(C₁₄H₁₄N₄)₂], the Zn^II atom is coordinated by two N atoms from two 1,2-bis(imidazol-1-ylmethyl)benzene ligands and two Cl atoms to confer a distorted tetrahedral geometry at the metal center.

Related literature

For conformationally flexible ligands and their metal complexes, see: Carlucci et al. (2004 ▶); Fan et al. (2005 ▶); Hennigar et al. (1997 ▶). For metal complexes of similar ligands, see: Liu et al. (2007 ▶); Moulton & Zaworotko (2001 ▶); Tan et al. (2004 ▶).

Experimental

Crystal data

[Zn₂Cl₄(C₁₄H₁₄N₄)₂]
M _r = 749.12
Triclinic,
a = 8.5502 (12) Å
b = 8.7267 (13) Å
c = 11.5726 (17) Å
α = 102.824 (2)°
β = 105.720 (2)°
γ = 91.763 (2)°
V = 806.6 (2) Å³
Z = 1
Mo Kα radiation
μ = 1.85 mm⁻¹
T = 291 K
0.20 × 0.15 × 0.12 mm

Data collection

Bruker SMART APEX CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2000 ▶) T _min = 0.709, T _max = 0.809
6327 measured reflections
3130 independent reflections
2912 reflections with I > 2σ(I)
R _int = 0.019

Refinement

R[F ² > 2σ(F ²)] = 0.035
wR(F ²) = 0.084
S = 1.09
3130 reflections
190 parameters
H-atom parameters constrained
Δρ_max = 0.42 e Å⁻³
Δρ_min = −0.27 e Å⁻³

Data collection: APEX2 (Bruker, 2005 ▶); cell refinement: SAINT (Bruker, 2005 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL.

Supplementary Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809027044/ng2598sup1.cif

e-65-0m970-sup1.cif^{(16.3KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809027044/ng2598Isup2.hkl

e-65-0m970-Isup2.hkl^{(153.5KB, hkl)}

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

Table 1. Selected geometric parameters (Å, °).

Zn1—N1	2.000 (2)
Zn1—N2ⁱ	2.017 (2)
Zn1—Cl1	2.2309 (8)
Zn1—Cl2	2.2428 (8)

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N1—Zn1—N2ⁱ	108.85 (9)
Cl1—Zn1—Cl2	116.46 (3)

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Symmetry code: (i) Inline graphic .

Acknowledgments

This work was supported by the Foundation of Young Researchers of the Key Laboratory of Advanced Textile Materials and Manufacturing Technology, Ministry of Education (grant No. 2007QN05).

supplementary crystallographic information

Comment

Conformationally non-rigid ligands, showing varied geometries that often lead to supramolecular isomers, (Moulton et al., 2001; Hennigar et al., 1997) can more easily produce new classes of compounds. 1,2-bis-(imidazol-1-ylmethyl)benzene, as one kind of those ligands, has usually been used to construct a great variety of structurally interesting entities, such as 1-D chain, 2-D and 3-D nets (Liu et al., 2007; Fan et al., 2005; Tan et al., 2004).

The coordination environment of the title compound(I) is illustrated in Fig.1. Single-crystal X-ray diffraction shows that the asymmetric unit contains one Zn crystallographically nonequivalent atom. The Zn atom is coordinated by two N atoms from 1,2-bis-(imidazol-1-ylmethyl)benzene and two Cl atom to give a slightly distorted tetrahedral geometry, forming a 0-D structrue. The crystal packing is stabilized by intermolecular π-π stacking interaction (Fig. 2).

Experimental

To a test tube (f= 2 cm) containing 3 ml aqueous solution of ZnCl₂ (0.006 g, 0.05 mmol) was added carefully a layer of THF as a buffer and then 5 ml of methanol solution of 1,2-bis-(imidazol-1-ylmethyl)benzene(0.027 g, 0.1 mmol). The system was allowed to stand for days, during which white crystals were formed in yield of ca 45%.