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Volume 69 
Part 6 
Pages m326-m327  
June 2013  

Received 22 March 2013
Accepted 9 May 2013
Online 18 May 2013

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.017 Å
Disorder in solvent or counterion
R = 0.076
wR = 0.173
Data-to-parameter ratio = 16.9
Details
Open access

catena-Poly[[manganese(III)-bis{[mu]-2-[(2-hydroxyethyl)iminomethyl]-6-methoxyphenolato-[kappa]3O1,N:O2;[kappa]3O2:N,O1}] iodide]

aDepartment of Inorganic Chemistry,Taras Shevchenko National University of Kyiv, 64/13 Volodymyrs'ka St, Kyiv 01601, Ukraine, and bSSI "Institute for Single Crystals" National Academy of Sciences of Ukraine, 60 Lenin Ave., Kharkiv 61001, Ukraine
Correspondence e-mail: spetrusenko@yahoo.com

In the title one-dimensional coordination polymer, {[Mn(C10H12NO3)2]I}n, the potentially tetradentate (O,O,O,N) 2-[(2-hydroxyethyl)iminomethyl]-6-methoxyphenol (H2L) ligands are mono-deprotonated (as HL-) and coordinated by the metal ions in a tridentate chelate-bridging fashion [2.0111112]. The MnIII atom possesses a distorted trans-MnO4N2 octahedral coordination environment. The bridging ligands lead to [010]-chain polymeric cations {[Mn(HL)2]+}n in the crystal. The charge-balancing iodide ions are disordered over two sites in a 0.690 (2):0.310 (2) ratio and a weak O-H...I hydrogen bond occurs. The crystal studied was found to be a racemic twin.

Related literature

For the related structure of {[Mn(C9H10NO2)2]Cl}n, see: Zhang et al. (2005[Zhang, L.-F., Ni, Z.-H., Zong, Z.-M., Wei, X.-Y., Ge, C.-H. & Kou, H.-Z. (2005). Acta Cryst. C61, m542-m544.]). For further synthetic details, see: Babich et al. (1996[Babich, O. A., Kokozay, V. N. & Pavlenko, V. A. (1996). Polyhedron, 15, 2727-2731.]); Vinogradova et al. (2002[Vinogradova, E. A., Vassilyeva, O. Yu., Kokozay, V. N., Skelton, B. W., Bjernemose, J. K. & Raithby, P. R. (2002). J. Chem. Soc. Dalton Trans. pp. 4248-4252.]); Makhankova et al. (2002[Makhankova, V. G., Vassilyeva, O. Yu., Kokozay, V. N., Skelton, B. W., Sorace, L. & Gatteschi, D. (2002). J. Chem. Soc. Dalton Trans. pp. 4253-4259.]); Nesterov et al. (2012[Nesterov, D. S., Chygorin, E. N., Kokozay, V. N., Bon, V. V., Boca, R., Kozlov, Y. N., Shul'pina, L. S., Jezierska, J., Ozarowski, A., Pombeiro, A. L. J. & Shul'pin, G. B. (2012). Inorg. Chem. 51, 9110-9122.]); Chygorin et al. (2012[Chygorin, E. N., Nesterova, O. V., Rusanova, J. A., Kokozay, V. N., Bon, V. V., Boca, R. & Ozarowski, A. (2012). Inorg. Chem. 51, 386-396.]). For bond-valence sum calculations, see: Brown & Altermatt (1985[Brown, I. D. & Altermatt, D. (1985). Acta Cryst. B41, 244-247.]). For coordination mode notation, see: Coxall et al. (2000[Coxall, R. A., Harris, S. G., Henderson, D. K., Parsons, S., Tasker, P. A. & Winpenny, R. E. P. (2000). J. Chem. Soc. Dalton Trans. pp. 2349-2356.]).

[Scheme 1]

Experimental

Crystal data
  • [Mn(C10H12NO3)2]I

  • Mr = 570.25

  • Orthorhombic, P c a 21

  • a = 18.880 (2) Å

  • b = 5.8979 (10) Å

  • c = 20.916 (2) Å

  • V = 2329.1 (5) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.93 mm-1

  • T = 298 K

  • 0.40 × 0.20 × 0.20 mm

Data collection
  • Agilent Xcalibur Sapphire3 diffractometer

  • Absorption correction: multi-scan (CrysAlis PRO; Agilent, 2011[Agilent (2011). CrysAlis PRO, CrysAlis CCD and CrysAlis RED. Agilent Technologies Ltd, Yarnton, England.]) Tmin = 0.513, Tmax = 0.699

  • 7841 measured reflections

  • 4752 independent reflections

  • 2094 reflections with I > 2[sigma](I)

  • Rint = 0.078

Refinement
  • R[F2 > 2[sigma](F2)] = 0.076

  • wR(F2) = 0.173

  • S = 0.92

  • 4752 reflections

  • 282 parameters

  • 1 restraint

  • H-atom parameters constrained

  • [Delta][rho]max = 1.49 e Å-3

  • [Delta][rho]min = -0.66 e Å-3

  • Absolute structure: Flack (1983[Flack, H. D. (1983). Acta Cryst. A39, 876-881.]), 1276 Friedel pairs

  • Flack parameter: 0.59 (3)

Table 1
Selected bond lengths (Å)

Mn1-O3 1.829 (8)
Mn1-O1 1.849 (8)
Mn1-N1 2.035 (10)
Mn1-N2 2.061 (9)
Mn1-O6i 2.247 (8)
Mn1-O5ii 2.315 (8)
Symmetry codes: (i) x, y+1, z; (ii) x, y-1, z.

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O5-H5...I1Aiii 0.86 2.86 3.488 (8) 131
Symmetry code: (iii) [-x, -y+1, z-{\script{1\over 2}}].

Data collection: CrysAlis CCD (Agilent, 2011[Agilent (2011). CrysAlis PRO, CrysAlis CCD and CrysAlis RED. Agilent Technologies Ltd, Yarnton, England.]); cell refinement: CrysAlis RED (Agilent, 2011[Agilent (2011). CrysAlis PRO, CrysAlis CCD and CrysAlis RED. Agilent Technologies Ltd, Yarnton, England.]); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: OLEX2 (Dolomanov et al., 2009[Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K. & Puschmann, H. (2009). J. Appl. Cryst. 42, 339-341.]); molecular graphics: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HB7060 ).


Acknowledgements

This work was partially supported by the State Fund for Fundamental Researches of Ukraine (project 54.3/005).

References

Agilent (2011). CrysAlis PRO, CrysAlis CCD and CrysAlis RED. Agilent Technologies Ltd, Yarnton, England.
Babich, O. A., Kokozay, V. N. & Pavlenko, V. A. (1996). Polyhedron, 15, 2727-2731.  [CrossRef] [ChemPort] [ISI]
Brown, I. D. & Altermatt, D. (1985). Acta Cryst. B41, 244-247.  [CrossRef] [ISI] [details]
Chygorin, E. N., Nesterova, O. V., Rusanova, J. A., Kokozay, V. N., Bon, V. V., Boca, R. & Ozarowski, A. (2012). Inorg. Chem. 51, 386-396.  [ISI] [CSD] [CrossRef] [ChemPort] [PubMed]
Coxall, R. A., Harris, S. G., Henderson, D. K., Parsons, S., Tasker, P. A. & Winpenny, R. E. P. (2000). J. Chem. Soc. Dalton Trans. pp. 2349-2356.  [CSD] [CrossRef]
Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K. & Puschmann, H. (2009). J. Appl. Cryst. 42, 339-341.  [ISI] [CrossRef] [ChemPort] [details]
Flack, H. D. (1983). Acta Cryst. A39, 876-881.  [CrossRef] [details]
Makhankova, V. G., Vassilyeva, O. Yu., Kokozay, V. N., Skelton, B. W., Sorace, L. & Gatteschi, D. (2002). J. Chem. Soc. Dalton Trans. pp. 4253-4259.  [CSD] [CrossRef]
Nesterov, D. S., Chygorin, E. N., Kokozay, V. N., Bon, V. V., Boca, R., Kozlov, Y. N., Shul'pina, L. S., Jezierska, J., Ozarowski, A., Pombeiro, A. L. J. & Shul'pin, G. B. (2012). Inorg. Chem. 51, 9110-9122.  [ISI] [CSD] [CrossRef] [ChemPort] [PubMed]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [details]
Vinogradova, E. A., Vassilyeva, O. Yu., Kokozay, V. N., Skelton, B. W., Bjernemose, J. K. & Raithby, P. R. (2002). J. Chem. Soc. Dalton Trans. pp. 4248-4252.  [CSD] [CrossRef]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [ISI] [CrossRef] [ChemPort] [details]
Zhang, L.-F., Ni, Z.-H., Zong, Z.-M., Wei, X.-Y., Ge, C.-H. & Kou, H.-Z. (2005). Acta Cryst. C61, m542-m544.  [CSD] [CrossRef] [details]


Acta Cryst (2013). E69, m326-m327   [ doi:10.1107/S1600536813012695 ]

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