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Volume 65 
Part 2 
Page m181  
February 2009  

Received 25 December 2008
Accepted 7 January 2009
Online 14 January 2009

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Key indicators
Single-crystal X-ray study
T = 291 K
Mean [sigma](C-C) = 0.003 Å
R = 0.039
wR = 0.110
Data-to-parameter ratio = 16.8
Details
Open access

Diazidobis[4,4,5,5-tetramethyl-2-(1,3-thiazol-2-yl)-2-imidazoline-1-oxyl-3-oxide-[kappa]2O,N]manganese(II)

Jiu Li Chang,a Zhi Yong Gaoa and Kai Jianga*

aCollege of Chemistry and Environmental Science, Henan Normal University, Xinxiang 453002, People's Republic of China
Correspondence e-mail: gaozhy201@sohu.com

In the crystal structure of the title compound, [Mn(N3)2(C10H14N3O2S)2], the Mn(II) atom exhibits a roughly octahedral coordination geometry. The Mn(II) atom lies on an inversion centre, thus the asymmetric unit comprises one half-molecule. The metal center is six-coordinated by two azide anions and by two chelating 4,4,5,5-tetramethyl-2-(1,3-thiazol-2-yl)-2-imidazoline-1-oxyl-3-oxide nitronyl nitroxide radical ligands, leading to two six-membered chelate rings.

Related literature

For the design and synthesis of molecule-based magnetic materials, see: Aoki et al. (2003[Aoki, C., Ishida, T. & Nogami, T. (2003). Inorg. Chem. 42, 7616-7625.]). For nitronyl nitroxide radicals, see: Minguet et al. (2000[Minguet, M., Amabilino, D. B., Cirujeda, J., Wurst, K., Mata, I., Molins, E., Novoa, J. J. & Veciana, J. (2000). Chem. Eur. J. 6, 2350-2361.]); Catala et al. (2005[Catala, L., Moigne, J. L., Gruber, N., Novoa, J. J., Rabu, P., Belorizky, E. & Turek, P. (2005). Chem. Eur. J. 11, 2440-2454.]). For transition metal-radical complexes, see: Wang et al. (2005[Wang, L.-Y., Chang, J.-L., Jiang, K., Ma, L.-F. & Wang, Y.-F. (2005). Acta Cryst. E61, m2230-m2231.]). For paramagnetic metal complexes of nitronyl nitroxide radicals, see: Li et al. (2002[Li, L. C., Liao, D. Z., Jiang, Z. H. & &Yan, S. P. (2002). J. Chem. Soc. Dalton Trans. pp. 1350-1353.]); Liu et al. (2001[Liu, Z. L., Zhao, Q. H., Li, S. Q., Liao, D. Z. & Jiang, Z. H. (2001). Inorg. Chem. Commun. 4, 322-325.]). For the synthesis, see: Ullman et al. (1970[Ullman, E. F., Call, L. & Osieckei, J. H. J. (1970). J. Org. Chem. 35, 3623-3628.], 1972[Ullman, E. F., Osiecki, J. H., Boocock, D. G. B. & Darcy, R. (1972). J. Am. Chem. Soc. 94, 7049-7059.])

[Scheme 1]

Experimental

Crystal data

  • [Mn(N3)2(C10H14N3O2S)2]

  • Mr = 619.60

  • Monoclinic, P 21 /c

  • a = 9.9600 (18) Å

  • b = 12.272 (2) Å

  • c = 11.353 (2) Å

  • [beta] = 103.714 (3)°

  • V = 1348.1 (4) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 0.70 mm-1

  • T = 291 (2) K

  • 0.45 × 0.30 × 0.25 mm
Data collection

  • Bruker SMART CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.745, Tmax = 0.846

  • 7966 measured reflections

  • 3061 independent reflections

  • 2628 reflections with I > 2[sigma](I)

  • Rint = 0.036
Refinement

  • R[F2 > 2[sigma](F2)] = 0.039

  • wR(F2) = 0.110

  • S = 1.06

  • 3061 reflections

  • 182 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.37 e Å-3

  • [Delta][rho]min = -0.25 e Å-3

Data collection: SMART (Bruker, 2002[Bruker (2002). SAINT and SMART. Bruker AXS Inc., Madison, Winsonsin, USA.]); cell refinement: SAINT (Bruker, 2002[Bruker (2002). SAINT and SMART. Bruker AXS Inc., Madison, Winsonsin, 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, 2009[Westrip, S. P. (2009) publCIF. In preparation.]).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: KP2202 ).

Acknowledgements

This work was supported by the National Natural Science Foundation of China (grant No. 20471026) and the Natural Science Foundation of Henan Province (grant No. 0311021200).

References

Aoki, C., Ishida, T. & Nogami, T. (2003). Inorg. Chem. 42, 7616-7625.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Bruker (2002). SAINT and SMART. Bruker AXS Inc., Madison, Winsonsin, USA.
Catala, L., Moigne, J. L., Gruber, N., Novoa, J. J., Rabu, P., Belorizky, E. & Turek, P. (2005). Chem. Eur. J. 11, 2440-2454.  [CSD] [CrossRef] [ChemPort]
Li, L. C., Liao, D. Z., Jiang, Z. H. & &Yan, S. P. (2002). J. Chem. Soc. Dalton Trans. pp. 1350-1353.  [CSD] [CrossRef]
Liu, Z. L., Zhao, Q. H., Li, S. Q., Liao, D. Z. & Jiang, Z. H. (2001). Inorg. Chem. Commun. 4, 322-325.  [ISI] [CSD] [CrossRef] [ChemPort]
Minguet, M., Amabilino, D. B., Cirujeda, J., Wurst, K., Mata, I., Molins, E., Novoa, J. J. & Veciana, J. (2000). Chem. Eur. J. 6, 2350-2361.  [CrossRef] [ChemPort]
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Ullman, E. F., Call, L. & Osieckei, J. H. J. (1970). J. Org. Chem. 35, 3623-3628.  [CrossRef] [ChemPort]
Ullman, E. F., Osiecki, J. H., Boocock, D. G. B. & Darcy, R. (1972). J. Am. Chem. Soc. 94, 7049-7059.  [CrossRef] [ChemPort] [ISI]
Wang, L.-Y., Chang, J.-L., Jiang, K., Ma, L.-F. & Wang, Y.-F. (2005). Acta Cryst. E61, m2230-m2231.  [CSD] [CrossRef] [details]
Westrip, S. P. (2009) publCIF. In preparation.

Acta Cryst (2009). E65, m181  [ doi:10.1107/S1600536809000786 ]

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