Hexa­kis­(1-benzyl-1H-imidazole-κN 3)manganese(II) bis­(perchlorate)

Gui-Ying Dong; Tong-Fei Liu; Cui-Hong He; Xiao-Chen Deng; Xiao-Ge Shi

doi:10.1107/S1600536811023531

. 2011 Jun 22;67(Pt 7):m960. doi: 10.1107/S1600536811023531

Hexakis(1-benzyl-1H-imidazole-κN ³)manganese(II) bis(perchlorate)

Gui-Ying Dong ^a,^*, Tong-Fei Liu ^a, Cui-Hong He ^a, Xiao-Chen Deng ^b, Xiao-Ge Shi ^b

PMCID: PMC3151807 PMID: 21836938

Abstract

In the title compound, [Mn(C₁₀H₁₀N₂)₆](ClO₄)₂, the Mn^II ion, located on an inversion center, is coordinated by six N atoms from three pairs of symmetry-related 1-benzyl-1H-imidazole ligands in a distorted octahedral geometry. In the crystal, weak intermolecular C—H⋯O hydrogen bonds link the complex cations and perchlorate anions.

Related literature

For background to the coordination chemistry of imidazole and its derivatives, see: Cui et al. (2005 ▶); Fan et al. (2005 ▶); Li et al. (2009 ▶); Peng et al. (2010 ▶); Santoro et al. (2000 ▶). For the synthesis of 1-benzyl-1H-imidazole, see: Shen et al. (2010 ▶).

Experimental

Crystal data

[Mn(C₁₀H₁₀N₂)₆](ClO₄)₂
M _r = 1203.04
Triclinic,
a = 9.2832 (19) Å
b = 12.744 (3) Å
c = 13.317 (3) Å
α = 84.55 (3)°
β = 79.56 (3)°
γ = 75.87 (3)°
V = 1500.4 (6) Å³
Z = 1
Mo Kα radiation
μ = 0.37 mm⁻¹
T = 295 K
0.28 × 0.27 × 0.26 mm

Data collection

Bruker APEX CCD diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T _min = 0.796, T _max = 0.808
15862 measured reflections
6832 independent reflections
5066 reflections with I > 2σ(I)
R _int = 0.039

Refinement

R[F ² > 2σ(F ²)] = 0.062
wR(F ²) = 0.188
S = 0.84
6832 reflections
376 parameters
H-atom parameters constrained
Δρ_max = 0.34 e Å⁻³
Δρ_min = −0.62 e Å⁻³

Data collection: SMART (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: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL.

Supplementary Material

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536811023531/hy2441sup1.cif

e-67-0m960-sup1.cif^{(33.1KB, cif)}

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811023531/hy2441Isup2.hkl

e-67-0m960-Isup2.hkl^{(334.3KB, hkl)}

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

Table 1. Selected bond lengths (Å).

Mn1—N1	2.158 (2)
Mn1—N3	2.158 (2)
Mn1—N5	2.181 (2)

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Table 2. Hydrogen-bond geometry (Å, °).

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C1—H1A⋯O1	0.93	2.49	3.286 (4)	144
C14—H14A⋯O4	0.97	2.53	3.461 (6)	160
C21—H21A⋯O3	0.93	2.56	3.371 (5)	145
C24—H24B⋯O1ⁱ	0.97	2.53	3.469 (5)	164

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Symmetry code: (i) Inline graphic .

Acknowledgments

The authors thank Hebei United University for supporting this work.

supplementary crystallographic information

Comment

Over the past few years, great attention has been paid to the coordination chemistry of imidazole and its derivatives because these compounds are ubiquitous in biological and biochemical structures and functions, such as the roles of histidine as a metal ion binding site in metalloenzymes and in the catalytic mechanism of ribonucleases and other phosphoesterases (Cui et al., 2005; Fan et al., 2005; Li et al., 2009; Peng et al., 2010; Santoro et al., 2000). We report here the crystal structure of the title compound.

The coordination geometry around the Mn^II atom is slightly distorted octahedral, defined by six N atoms from six 1-benzyl-1H-imidazole ligands (Fig. 1). The Mn—N bond distances lie in a range from 2.158 (2) to 2.181 (2) Å (Table 1). In the crystal, the complex cations and perchlorate anions are linked via weak C—H···O hydrogen bonds (Table 2, Fig. 2), which stabilize the structure.

Experimental

A mixture of MnCl₂.6H₂O (197 mg, 1 mmol), salicylic acid (138 mg, 1 mmol), NaOH (40 mg, 1 mmol) and 1-benzyl-1H-imidazole (158 mg, 1 mmol) (Shen et al., 2010) in H₂O (15 ml) was placed in a Teflon-lined stainless vessel and heated to 413 K for 72 h. Then, the reaction system was cooled to room temperature during 24 h to give rise to yellow crystals, which were collected and washed with water (yield: 0.040 g, 20%). Analysis, calculated for C₆₀H₆₀Cl₂MnN₁₂O₈: C 59.90, H 5.03, N 13.97%; found: C 59.75, H 4.95, N 13.78%.