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Volume 69 
Part 11 
Page m621  
November 2013  

Received 17 September 2013
Accepted 20 October 2013
Online 26 October 2013

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.005 Å
R = 0.052
wR = 0.145
Data-to-parameter ratio = 14.6
Details
Open access

Di­chlorido­bis­[1-(2,4,6-tri­methyl­phen­yl)-1H-imidazole-[kappa]N3]copper(II)

aHealth Vocation and Technical College of Guangzhou Medical University, Guangzhou, People's Republic of China
Correspondence e-mail: zhangyantao333@163.com

In the title complex, [CuCl2(C12H14N2)2], the Cu2+ cation is situated on an inversion centre and is coordinated by two N atoms from symmetry-related 1-mesityl-1H-imidazole ligands and by two chloride anions in a slightly distorted square-planar geometry. In the organic ligand, the dihedral angle between the benzene ring of the mesityl moiety and the imidazole ring is 76.99 (18)°. Weak intra­molecular C-H...Cl hydrogen-bonding inter­actions consolidate the mol­ecular conformation.

Related literature

For related structures, see: Awwadi (2013[Awwadi, F. F. (2013). Acta Cryst. E69, m116.]); Jia et al. (2005[Jia, W., McCormick, T., Tao, Y., Lu, J. & Wang, S. (2005). Inorg. Chem. 44, 5706-5712.]). For the bioactivity of Cu complexes, see: Beaudoin et al. (2009[Beaudoin, C., Morel, L., Boyer, D., Mahiou, R. & Gautier, A. (2009). Dalton Trans. pp. 6894-6902.]); Deegana et al. (2007[Deegana, C., McCanna, M., Devereuxa, M., Coylec, B. & Egan, D. A. (2007). Cancer Lett. 2, 224-233.]); Pettit & Ueda (1992[Pettit, L. D. & Ueda, J. (1992). J. Inorg. Biochem. 3, 203-210.]). For the photochemistry of Cu complexes, see: Kuang et al. (2002[Kuang, S. M., Cuttell, D. G., McMillin, D. R., Fanwick, P. E. & Walton, R. A. (2002). Inorg. Chem. 41, 3313-3322.]); Raptopoulou et al. (1998[Raptopoulou, C. P., Paschalidou, S., Pantazaki, A. A., Terzis, A., Perlepes, S. P., Lialiaris, T., Bakalbassis, E. G., Mrozinski, J. & Kyriakidis, D. A. (1998). J. Inorg. Biochem. 71, 15-27.]); Teyssot et al. (2007[Teyssot, M. L., Jarrousse, A. S., Manin, M., Chevry, A., Roche, S., Norre, F., Tsuboyama, A., Kuge, K., Furugori, M., Okada, S., Hoshino, M. & Ueno, K. (2007). Inorg. Chem. 46, 1992-2001.]).

[Scheme 1]

Experimental

Crystal data
  • [CuCl2(C12H14N2)2]

  • Mr = 506.94

  • Monoclinic, P 21 /c

  • a = 7.1488 (6) Å

  • b = 19.7517 (18) Å

  • c = 8.5126 (7) Å

  • [beta] = 92.674 (8)°

  • V = 1200.68 (18) Å3

  • Z = 2

  • Cu K[alpha] radiation

  • [mu] = 3.47 mm-1

  • T = 298 K

  • 0.44 × 0.32 × 0.05 mm

Data collection
  • Bruker APEX CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2008[Bruker (2008). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.311, Tmax = 0.846

  • 5702 measured reflections

  • 2114 independent reflections

  • 1738 reflections with I > 2[sigma](I)

  • Rint = 0.036

Refinement
  • R[F2 > 2[sigma](F2)] = 0.052

  • wR(F2) = 0.145

  • S = 1.02

  • 2114 reflections

  • 145 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 1.16 e Å-3

  • [Delta][rho]min = -1.18 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C1-H1...Cl1 0.93 2.55 3.060 (4) 115

Data collection: APEX2 (Bruker, 2008[Bruker (2008). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2008[Bruker (2008). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2773 ).


References

Awwadi, F. F. (2013). Acta Cryst. E69, m116.  [CSD] [CrossRef] [IUCr Journals]
Beaudoin, C., Morel, L., Boyer, D., Mahiou, R. & Gautier, A. (2009). Dalton Trans. pp. 6894-6902.
Bruker (2008). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Deegana, C., McCanna, M., Devereuxa, M., Coylec, B. & Egan, D. A. (2007). Cancer Lett. 2, 224-233.
Jia, W., McCormick, T., Tao, Y., Lu, J. & Wang, S. (2005). Inorg. Chem. 44, 5706-5712.  [Web of Science] [CSD] [CrossRef] [PubMed] [ChemPort]
Kuang, S. M., Cuttell, D. G., McMillin, D. R., Fanwick, P. E. & Walton, R. A. (2002). Inorg. Chem. 41, 3313-3322.  [Web of Science] [CSD] [CrossRef] [PubMed] [ChemPort]
Pettit, L. D. & Ueda, J. (1992). J. Inorg. Biochem. 3, 203-210.  [CrossRef] [Web of Science]
Raptopoulou, C. P., Paschalidou, S., Pantazaki, A. A., Terzis, A., Perlepes, S. P., Lialiaris, T., Bakalbassis, E. G., Mrozinski, J. & Kyriakidis, D. A. (1998). J. Inorg. Biochem. 71, 15-27.  [Web of Science] [CSD] [CrossRef] [ChemPort] [PubMed]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Teyssot, M. L., Jarrousse, A. S., Manin, M., Chevry, A., Roche, S., Norre, F., Tsuboyama, A., Kuge, K., Furugori, M., Okada, S., Hoshino, M. & Ueno, K. (2007). Inorg. Chem. 46, 1992-2001.  [Web of Science] [PubMed]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]


Acta Cryst (2013). E69, m621  [ doi:10.1107/S1600536813028821 ]

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