cyclo-Tetra­kis{μ-2,2′-dimethyl-1,1′-[2,2-bis­(bromo­meth­yl)propane-1,3-di­yl]di(1H-benzimidazole)-κ2N3:N3′}tetra­kis­[bromidocopper(I)]

Wang, X.; Liu, C.-B.; Yan, Y.-S.; Wang, S.-T.; Liu, L.

doi:10.1107/S160053681200102X

Volume 68
Part 2
Page m153
February 2012

Received 28 November 2011
Accepted 10 January 2012
Online 14 January 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.015 Å
R = 0.079
wR = 0.177
Data-to-parameter ratio = 14.9
Details

cyclo-Tetrakis{-2,2'-dimethyl-1,1'-[2,2-bis(bromomethyl)propane-1,3-diyl]di(1H-benzimidazole)-²N³:N^3'}tetrakis[bromidocopper(I)]

Xing Wang,^a Chun-Bo Liu,^a ^* Yong-Sheng Yan,^a Shen-Tang Wang ^a and Ling Liu ^a

^aSchool of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang 212013, People's Republic of China
Correspondence e-mail: guangbocheujs@yahoo.com.cn

The title compound, [Cu₄Br₄(C₂₁H₂₂Br₂N₄)₄], features a macrocyclic Cu₄L₄ ring system in which each Cu^I atom is coordinated by one bromide ion and two N atoms from two 2,2'-dimethyl-1,1'-[2,2-bis(bromomethyl)propane-1,3-diyl]di(1H-benzimidazole) (L) ligands in a distorted trigonal-planar geometry. The L ligands adopt either a cis or trans configuration. The asymmetric unit contains one half-molecule with the center of the macrocycle located on a crystallographic center of inversion. Each bromide ion binds to a Cu^I atom in a terminal mode and is oriented outside the ring. The macrocycles are interconnected into a two-dimensional network by [pi] - [pi] interactions between benzimidazole groups from different rings [centroid-centroid distance = 3.803 (5) Å.

Related literature

For the synthesis of the organic ligand, see: Bai et al. (2010). For related structures, see: Zhu et al. (2005); Qi et al. (2008); Li & Du (2006); Peng et al. (2010).

Experimental

Crystal data

[Cu₄Br₄(C₂₁H₂₂Br₂N₄)₄]
M_r = 2534.78
Triclinic, $[P \overline 1]$
a = 11.585 (2) Å
b = 12.597 (3) Å
c = 15.273 (3) Å
= 77.75 (3)°
= 84.88 (3)°
= 89.54 (3)°
V = 2169.4 (8) Å³
Z = 1
Mo K radiation
= 6.55 mm^-1
T = 293 K
0.12 × 0.11 × 0.10 mm

Data collection

Rigaku Mercury CCD area-detector diffractometer
Absorption correction: multi-scan (CrystalClear; Rigaku, 2007) T_min = 0.458, T_max = 0.535
15281 measured reflections
7799 independent reflections
5648 reflections with I > 2(I)
R_int = 0.041

Refinement

R[F² > 2(F²)] = 0.079
wR(F²) = 0.177
S = 1.12
7799 reflections
523 parameters
H-atom parameters constrained
_max = 1.60 e Å^-3
_min = -3.27 e Å^-3

Data collection: CrystalClear (Rigaku, 2007); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: CrystalClear (Rigaku, 2007) and DIAMOND (Brandenburg, 1998); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: IM2344 ).

Acknowledgements

The authors are indebted to Jiangsu University for supporting this work.

References

Bai, H.-Y., Xia, D.-C. & Ma, J.-F. (2010). Z. Kristallogr. New Cryst. Struct. 225, 101-102.
Brandenburg, K. (1998). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Li, T. & Du, S.-W. (2006). Acta Cryst. E62, m1812-m1813.
Peng, R., Li, M. & Li, D. (2010). Coord. Chem. Rev. 254, 1-18.
Qi, Y., Luo, F., Batten, S. R., Che, Y.-X. & Zheng, J.-M. (2008). Cryst. Growth Des. 8, 2806-2813.
Rigaku (2007). CrystalClear. Rigaku/MSC Inc., The Woodlands, Texas, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Zhu, H.-F., Fan, J., Okamura, T.-A., Sun, W.-Y. & Ueyama, N. (2005). Cryst. Growth Des. 5, 289-294.

metal-organic compounds

cyclo-Tetrakis{-2,2'-dimethyl-1,1'-[2,2-bis(bromomethyl)propane-1,3-diyl]di(1H-benzimidazole)-2N3:N3'}tetrakis[bromidocopper(I)]