Bis[3-ethyl-4-(4-methoxy­phen­yl)-5-(2-pyrid­yl)-4H-1,2,4-triazole-κ2N1,N5]bis­(perchlorato-κO)copper(II) acetonitrile disolvate

Huang, L.; Wang, Z.; Zhang, X.; Wu, P.

doi:10.1107/S1600536808012026

Volume 64
Part 5
Pages m741-m742
May 2008

Received 25 March 2008
Accepted 25 April 2008
Online 30 April 2008

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.004 Å
R = 0.040
wR = 0.121
Data-to-parameter ratio = 13.2
Details

Bis[3-ethyl-4-(4-methoxyphenyl)-5-(2-pyridyl)-4H-1,2,4-triazole-²N¹,N⁵]bis(perchlorato-O)copper(II) acetonitrile disolvate

Liaocheng Huang,^a Zuoxiang Wang,^a ^* Xiaoming Zhang ^a and Pingfeng Wu ^a

^aOrdered Matter Science Research Center, Southeast University, Nanjing 210096, People's Republic of China
Correspondence e-mail: wangzx0908@yahoo.com.cn

In the title compound, [Cu(ClO₄)₂(C₁₆H₁₆N₄O)₂]·2CH₃CN, the Cu^II atom, located on an inversion center, is in a tetragonally distorted octahedral environment, coordinated by four N atoms of two bidentate 3-ethyl-4-(4-methoxyphenyl)-5-(2-pyridyl)-4H-1,2,4-triazole ligands in equatorial positions and by the O atoms of two perchlorate groups in axial positions. The long axial Cu-O bond of 2.4743 (17) Å is the result of the Jahn-Teller effect.

Related literature

For related literature, see: Bencini et al. (1987); Garcia et al. (1997); Kahn & Martinez (1998); Klingele et al. (2005, 2006); Koningsbruggen (2004); Koningsbruggen et al. (1995); Lavrenova & Larionov (1998); Matouzenko et al. (2004); Moliner et al. (1998, 2001); Wang et al. (2005); Zhou et al., (2006a,b).

Experimental

Crystal data

[Cu(ClO₄)₂(C₁₆H₁₆N₄O)₂]·2C₂H₃N
M_r = 905.21
Triclinic, $[P \overline 1]$
a = 8.3286 (11) Å
b = 9.1266 (14) Å
c = 14.225 (2) Å
= 100.516 (7)°
= 101.067 (4)°
= 98.780 (4)°
V = 1023.4 (3) Å³
Z = 1
Mo K radiation
= 0.73 mm^-1
T = 293 (2) K
0.20 × 0.20 × 0.20 mm

Data collection

Rigaku Mercury2 diffractometer
Absorption correction: multi-scan (CrystalClear; Rigaku/MSC, 2005) T_min = 0.864, T_max = 0.867
8302 measured reflections
3565 independent reflections
3170 reflections with I > 2(I)
R_int = 0.031

Refinement

R[F² > 2(F²)] = 0.039
wR(F²) = 0.120
S = 1.16
3565 reflections
271 parameters
H-atom parameters constrained
_max = 0.46 e Å^-3
_min = -0.54 e Å^-3

Table 1
Selected geometric parameters (Å, °)

Cu1-N2	1.9892 (16)
Cu1-N1	2.0261 (18)
Cu1-O2	2.4743 (17)

N2ⁱ-Cu1-N2	180
N2ⁱ-Cu1-N1	99.31 (7)
N2-Cu1-N1	80.69 (7)
N1-Cu1-N1ⁱ	180
N2ⁱ-Cu1-O2	92.07 (7)
N2-Cu1-O2	87.93 (7)
N1-Cu1-O2	92.61 (7)
N1ⁱ-Cu1-O2	87.39 (7)
Symmetry code: (i) -x+1, -y+1, -z+1.

Data collection: CrystalClear (Rigaku/MSC, 2005); 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: SHELXTL/PC (Sheldrick, 2008); software used to prepare material for publication: SHELXTL/PC.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: GK2140 ).

Acknowledgements

We are grateful to Jingye Pharmochemical Pilot Plant for financial assistance through project 8507041056.

References

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Kahn, O. & Martinez, C. J. (1998). Science, 279, 44-48.
Klingele, M. H., Boyd, P. D. W., Moubaraki, B., Murray, K. S. & Brooker, S. (2005). Eur. J. Inorg. Chem. pp. 910-918.
Klingele, M. H., Boyd, P. D. W., Moubaraki, B., Murray, K. S. & Brooker, S. (2006). Eur. J. Inorg. Chem. pp. 573-589.
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Matouzenko, G. S., Bousseksou, A., Borshch, S. A., Perrin, M., Zein, S., Salmon, L., Molnar, G. & Lecocq, S. (2004). Inorg. Chem. 43, 227-236.
Moliner, N., Gaspar, A. B., Munoz, M. C., Niel, V., Cano, J. & Real, J. A. (2001). Inorg. Chem. 40, 3986-3991.
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Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Wang, Z.-X., Lan, Y., Yuan, L.-T. & Liu, C.-Y. (2005). Acta Cryst. E61, o2033-o2034.
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Zhou, B.-G., Wang, Z.-X., Qiu, X.-Y. & Liu, C.-Y. (2006b). Acta Cryst. E62, m3176-m3177.

metal-organic compounds

Bis[3-ethyl-4-(4-methoxyphenyl)-5-(2-pyridyl)-4H-1,2,4-triazole-2N1,N5]bis(perchlorato-O)copper(II) acetonitrile disolvate