Bis[5-(pyridin-2-yl)pyrazine-2-carbo­nitrile-κ2N4,N5](trifluoro­acetato-κO)silver(I)

Li, J.; Jia, X.C.; Qi, J.; Liu, Y.Y.; Ding, Y.

doi:10.1107/S1600536812040846

Volume 68
Part 11
Page m1329
November 2012

Received 15 September 2012
Accepted 27 September 2012
Online 6 October 2012

Key indicators
Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.010 Å
R = 0.044
wR = 0.129
Data-to-parameter ratio = 12.1
Details

Bis[5-(pyridin-2-yl)pyrazine-2-carbonitrile-²N⁴,N⁵](trifluoroacetato-O)silver(I)

Jing Li,^a ^* Xiao Cuan Jia,^a Jun Qi,^a Yuan Yuan Liu ^b and Yu Ding ^a

^aTianjin Entry-Exit Inspection and Quarantine Bureau, Tianjin 300201, People's Republic of China, and ^bDisease Hospital of TianJin City, Tianjin 300201, People's Republic of China
Correspondence e-mail: yanjiuyuan_lee@126.com

In the asymmetric unit of the title compound, [Ag(C₁₀H₆N₄)₂(CF₃CO₂)], there two mononuclear but slightly different complex units. In each, two [kappa] ²N:N-chelating 5-(pyridin-2-yl)pyrazine-2-carbonitrile ligands surround the Ag^I atom, giving an N₄O square-pyramidal coordination geometry with one trifluoroacetate O atom at the apex. The difference between the two lies in the Ag-N bond lengths: in one complex, three normal [range 2.272 (5)-2.552 (5) Å] and one long [2.706 (4) Å] and in the second, two normal [2.254 (5) and 2.290 (5) Å] and two long [2.647 (5) and 2.675 (5) Å] are present. Short intermolecular FF contacts [2.586 (4) Å] and weak [pi] - [pi] stacking interactions [minimum ring centroid separation 3.836 (5) Å] between pyridyl and pyrazinyl rings connect the complex units, forming columns which extend along the b-axis direction.

Related literature

For metal complexes with pyridyl-based ligands, see: Wang et al. (2009); O'Keeffe & Yaghi (2012); Choudhury et al. (2002). For complexes with 5-(pyridin-2-yl)pyrazine-2-carbonitrile, see: Wang et al. (2010); Zhang & Yang (2011). For van der Waals radii, see: Pauling (1960).

Experimental

Crystal data

[Ag(C₁₀H₆N₄)₂(C₂F₃O₂)]
M_r = 585.27
Orthorhombic, P 2₁ 2₁ 2₁
a = 12.5237 (16) Å
b = 14.9638 (18) Å
c = 23.845 (3) Å
V = 4468.6 (10) Å³
Z = 8
Mo K radiation
= 0.97 mm^-1
T = 298 K
0.41 × 0.31 × 0.29 mm

Data collection

Bruker APEXII CCD area detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2007) T_min = 0.861, T_max = 1.000
24472 measured reflections
7881 independent reflections
6180 reflections with I > 2(I)
R_int = 0.035

Refinement

R[F² > 2(F²)] = 0.044
wR(F²) = 0.129
S = 1.02
7881 reflections
649 parameters
10 restraints
H-atom parameters constrained
_max = 0.97 e Å^-3
_min = -0.64 e Å^-3
Absolute structure: Flack (1983), 3488 Friedel pairs
Flack parameter: -0.10 (4)

Data collection: APEX2 (Bruker 2007); cell refinement: APEX2 and 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 and PLATON (Spek, 2009).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: ZS2235 ).

Acknowledgements

The authors are grateful for financial support from the Science and Technology Program, Tianjin Municipal Commission.

References

Bruker (2007). APEX2, SADABS and SAINT. Bruker AXS Inc., Madison,Wisconsin, USA.
Choudhury, A. R., Urs, U. K., Nagarajan, K. & Row, T. N. G. (2002). J. Mol. Struct. 605, 71-75.
Flack, H. D. (1983). Acta Cryst. A39, 876-881.
O'Keeffe, M. & Yaghi, O. M. (2012). Chem. Rev. 112, 675-702.
Pauling, L. (1960). The Nature of the Chemical Bond, p. 260. New York: Cornell University Press.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Spek, A. L. (2009). Acta Cryst. D65, 148-155.
Wang, Z.-J., Zhang, F. & Wan, C.-Q. (2010). Acta Cryst. E66, m1232-m1233.
Wang, Y., Zhao, X.-Q., Shi, W., Cheng, P., Liao, D.-Z. & Yan, S.-P. (2009). Cryst. Growth Des. 9, 2137-2145.
Zhang, F. & Yang, Y.-L. (2011). Acta Cryst. E67, m1863.