Diaqua­bis­[5-(1-oxidopyridin-1-ium-2-yl)-1,2,3,4-tetrazolido]manganese(II) di­hydrate

Gao, F.; Yao, C.-S.; Lu, Z.-S.; Shi, Y.-H.

doi:10.1107/S1600536811001620

Volume 67
Part 2
Page m213
February 2011

Received 14 October 2010
Accepted 11 January 2011
Online 15 January 2011

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.009 Å
R = 0.078
wR = 0.133
Data-to-parameter ratio = 11.9
Details

Diaquabis[5-(1-oxidopyridin-1-ium-2-yl)-1,2,3,4-tetrazolido]manganese(II) dihydrate

Feng Gao,^a ^* Chang-Sheng Yao,^a Zai-Sheng Lu ^a and Yan-Hui Shi ^a

^aSchool of Chemistry and Chemical Engineering, Xuzhou Normal University, Xuzhou 221116 Jiangsu, People's Republic of China
Correspondence e-mail: gaofeng_xz2002@163.com

In the title compound, [Mn(C₆H₄N₅O)₂(H₂O)₂]·2H₂O, the Mn^II ion is situated on an inversion centre and is coordinated by the O and N atoms of two bis-chelating 5-(2-pyridyl-1-oxide)tetrazolate ligands and two O atoms of two water molecules in a distorted octahedral geometry. All the water H atoms are involved in O-HN and O-HO hydrogen bonds with uncoordinated water O atoms and tetrazole N atoms, which link the molecules into a three-dimensional network.

Related literature

For backgroud to tetrazolate derivatives in coordination chemistry, see: Jiang et al. (2007); Song et al. (2009); Zhang (2009). For related structures, see: Facchetti et al. (2004); Lin et al. (2005); Vrbova et al. (2000)

Experimental

Crystal data

[Mn(C₆H₄N₅O)₂(H₂O)₂]·2H₂O
M_r = 451.29
Monoclinic, P 2₁ /c
a = 6.4808 (13) Å
b = 12.034 (2) Å
c = 12.787 (4) Å
= 116.24 (2)°
V = 894.5 (4) Å³
Z = 2
Mo K radiation
= 0.80 mm^-1
T = 293 K
0.10 × 0.10 × 0.08 mm

Data collection

Bruker SMART CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2000) T_min = 0.925, T_max = 0.939
7432 measured reflections
1579 independent reflections
1102 reflections with I > 2(I)
R_int = 0.115

Refinement

R[F² > 2(F²)] = 0.078
wR(F²) = 0.133
S = 1.14
1579 reflections
133 parameters
H-atom parameters constrained
_max = 0.39 e Å^-3
_min = -0.38 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O3-H3AN2	0.88	2.15	3.010 (5)	164
O2-H2AO3ⁱ	0.84	2.01	2.756 (5)	147
O2-H2BN3ⁱⁱ	0.86	2.06	2.858 (5)	154
O3-H3BN4ⁱⁱ	0.82	2.10	2.917 (6)	176
Symmetry codes: (i) x-1, y, z; (ii) $[-x+1, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]$ .

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); 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.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: LX2180 ).

Acknowledgements

This work was supported by the Natural Science Foundation of Xuzhou Normal University (grant No. 09XLA06) and the National Natural Science Foundation of China (grant No. 21071121).

References

Bruker (2000). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Facchetti, A., Abbotto, A., Beverina, L., Bradamante, S., Mariani, P., Stern, C. L., Marks, T. J., Vacca, A. & Pagani, G. A. (2004). Chem. Commun. pp. 1770-1771.
Jiang, T., Zhao, Y.-F. & Zhang, X.-M. (2007). Inorg. Chem. Commun. 10, 1194-1197.
Lin, P., Clegg, W., Harrington, R. W. & Henderson, R. A. (2005). Dalton Trans. pp. 2388-2394.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Song, W.-C., Li, J.-R., Song, P.-C., Tao, Y., Yu, Q., Tong, X.-L. & Bu, X.-H. (2009). Inorg. Chem. 48, 3792-3799.
Vrbova, M., Baran, P., Boca, R., Fuess, H., Svoboda, I., Linert, W., Schubert, U. & Wiede, P. (2000). Polyhedron, 19, 2195-2201.
Zhang, L. (2009). Acta Cryst. E65, m871-m872.

metal-organic compounds