μ-2,3,5,6-Tetra-2-pyridylpyrazine-κ3N1,N2,N6:κ3N3,N4,N5-bis­[(methanol-κO)(nitrato-κ2O,O′)(nitrato-κO)cadmium(II)]

Seyed Sadjadi, M.; Ebadi, A.; Zare, K.; Amani, V.; Khavasi, H.R.

doi:10.1107/S1600536808022320

Volume 64
Part 8
Pages m1050-m1051
August 2008

Received 13 July 2008
Accepted 16 July 2008
Online 19 July 2008

Key indicators
Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.007 Å
R = 0.062
wR = 0.172
Data-to-parameter ratio = 19.4
Details

-2,3,5,6-Tetra-2-pyridylpyrazine-³N¹,N²,N⁶:³N³,N⁴,N⁵-bis[(methanol-O)(nitrato-²O,O')(nitrato-O)cadmium(II)]

Mirabdullah Seyed Sadjadi,^a ^* Amin Ebadi,^a Karim Zare,^b Vahid Amani ^c and Hamid Reza Khavasi ^b

^aDepartment of Chemistry, Science and Research Campus, Islamic Azad University, Poonak, Tehran, Iran,^bDepartment of Chemistry, Shahid Beheshti University, Evin, Tehran 1983963113, Iran, and ^cDepartment of Chemistry, Islamic Azad University, Shahr-e-Rey Branch, Tehran, Iran
Correspondence e-mail: mirabdullahsadjadi@yahoo.com

The title complex, [Cd₂(NO₃)₄(C₂₄H₁₆N₆)(CH₄O)₂], displays a centrosymmetric dinuclear structure, in which the 2,3,5,6-tetra-2-pyridinylpyrazine (tppz) ligand links two Cd ions separated by 7.323 (4) Å. Each Cd^II center is seven-coordinated by three N-atom donors of tppz in one plane, by two O atoms nearly normal to this plane, and by two O atoms 0.393 (3) and 0.488 (3) Å from that plane. The two Cd^II ions are above and below the plane of the pyrazine ring of the tppz ligand, oriented with respect to the pyridine rings at dihedral angles of 38.01 (3) and 31.90 (3)°. The dihedral angle between the two pyridine rings is 41.11 (3)°. In the crystal structure, intermolecular O-HO hydrogen bonds link the molecules.

Related literature

For related literature, see: Bock et al. (1992); Carranza et al. (2004); Goodwin & Lyons (1959); Graf et al. (1993, 1997); Greaves & Stoeckli-Evans (1992); Hadadzadeh et al. (2006); Laine et al. (1995); Sakai & Kurashima (2003); Yamada et al. (2000); Zhang et al. (2005).

Experimental

Crystal data

[Cd₂(NO₃)₄(C₂₄H₁₆N₆)(CH₄O)₂]
M_r = 925.37
Monoclinic, P 2₁ /c
a = 9.0777 (12) Å
b = 10.8949 (9) Å
c = 16.690 (2) Å
= 93.847 (10)°
V = 1646.9 (3) Å³
Z = 2
Mo K radiation
= 1.38 mm^-1
T = 298 (2) K
0.50 × 0.40 × 0.25 mm

Data collection

Stoe IPDSII diffractometer
Absorption correction: numerical (X-SHAPE; Stoe & Cie, 2005) T_min = 0.510, T_max = 0.710
4664 measured reflections
4642 independent reflections
4223 reflections with I > 2(I)
R_int = 0.075

Refinement

R[F² > 2(F²)] = 0.062
wR(F²) = 0.171
S = 1.07
4642 reflections
239 parameters
H atoms treated by a mixture of independent and constrained refinement
_max = 1.00 e Å^-3
_min = -0.95 e Å^-3

Table 1
Selected geometric parameters (Å, °)

O1-Cd1	2.330 (4)
O2-Cd1	2.431 (4)
O3-Cd1	2.476 (4)
O5-Cd1	2.305 (4)
N1-Cd1	2.407 (4)
N2-Cd1	2.359 (4)
N3-Cd1	2.393 (4)

O5-Cd1-O1	150.47 (16)
O5-Cd1-N2	119.29 (16)
O1-Cd1-N2	88.94 (13)
O5-Cd1-N3	94.10 (16)
O1-Cd1-N3	87.79 (13)
N2-Cd1-N3	69.31 (13)
O5-Cd1-N1	106.73 (17)
O1-Cd1-N1	90.37 (14)
N2-Cd1-N1	69.73 (12)
N3-Cd1-N1	139.02 (13)
O5-Cd1-O2	77.34 (15)
O1-Cd1-O2	81.82 (14)
N2-Cd1-O2	149.55 (11)
N3-Cd1-O2	138.56 (14)
N1-Cd1-O2	81.32 (12)
O5-Cd1-O3	72.18 (16)
O1-Cd1-O3	78.57 (14)
N2-Cd1-O3	152.93 (12)
N3-Cd1-O3	86.13 (13)
N1-Cd1-O3	133.44 (13)
O2-Cd1-O3	52.52 (12)

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O1-H1BO3ⁱ	0.92 (5)	1.87 (5)	2.788 (5)	172
Symmetry code: (i) $[-x+1, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]$ .

Data collection: X-AREA (Stoe & Cie, 2005); cell refinement: X-AREA; data reduction: X-RED (Stoe & Cie, 2005); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HK2497 ).

Acknowledgements

We are grateful to the Science and Research Campus, Islamic Azad University, Poonak, and Shahid Beheshti University for financial support

References

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