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Volume 64 
Part 3 
Page m471  
March 2008  

Received 17 December 2007
Accepted 8 February 2008
Online 13 February 2008


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Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.004 Å
R = 0.023
wR = 0.061
Data-to-parameter ratio = 11.4
Details

Dichloridobis[(S)-2-hydroxypropionamide-[kappa]2O,O']manganese(II)

Pascale Lemoine,a* Bernard Viossat,a Jean Daniel Brionb and Alain Bekaertb

aLaboratoire de Cristallographie et RMN Biologiques, UMR 8015 CNRS, Faculté des Sciences Pharmaceutiques et Biologiques de Paris Descartes, 4 Avenue de l'Observatoire, 75270 Paris Cedex 06, France, and bUniversité de Paris XI, Faculté des Sciences Pharmaceutiques et Biologiques, Laboratoire de Chimie Thérapeutique BioCIS, UPRES-A 8076 CNRS, 5 Rue J. B. Clément, 92296 Châtenay-Malabry Cedex, France
Correspondence e-mail: lemoine@pharmacie.univ-paris5.fr

In the title compound, [MnCl2(C3H7NO2)2], the MnII ion is bound to two Cl atoms and to four O atoms from two lactamide molecules which act as bidentate ligands, giving rise to a highly distorted octahedral coordination geometry. The axial positions are occupied by one Cl atom and one O (hydroxy) atom. The values of the cis bond angles at the Mn atom are in the range 72.33 (5)-100.17 (6)°. Of the two possible coordination modes (N,O- or O,O-bidentate) in metal complexes with lactamide or its derivatives described in the literature, the title compound exhibits the O,O-bidentate mode. In the crystal structure, monomeric manganese(II) complexes are linked by several N-H...Cl, O-H...Cl and O-H...O hydrogen bonds, generating a three-dimensional network.

Related literature

For related literature, see: Bekaert et al. (2005[Bekaert, A., Lemoine, P., Brion, J. D. & Viossat, B. (2005). Acta Cryst. C61, m76-m77.], 2007[Bekaert, A., Lemoine, P., Brion, J. D. & Viossat, B. (2007). Acta Cryst. E63, o3187-o3189.]); Chen et al. (2006[Chen, L., Wang, X.-W., Chen, F.-P., Chen, Y. & Chen, J.-Z. (2006). Acta Cryst. E62, m1743-m1745.]); Girma et al. (2005[Girma, K. B., Lorentz, V., Blaurock, S. & Edelmann, F. T. (2005). Z. Anorg. Allg. Chem. 631, 2763-2769.]).

[Scheme 1]

Experimental

Crystal data

  • [MnCl2(C3H7NO2)2]

  • Mr = 304.03

  • Monoclinic, P 21

  • a = 6.312 (2) Å

  • b = 11.718 (3) Å

  • c = 8.268 (2) Å

  • [beta] = 99.47 (1)°

  • V = 603.2 (3) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.53 mm-1

  • T = 293 (2) K

  • 0.18 × 0.16 × 0.12 mm
Data collection

  • Enraf-Nonius CAD-4 diffractometer

  • Absorption correction: none

  • 3659 measured reflections

  • 1836 independent reflections

  • 1803 reflections with I > 2[sigma](I)

  • Rint = 0.030

  • 3 standard reflections frequency: 60 min intensity decay: none
Refinement

  • R[F2 > 2[sigma](F2)] = 0.022

  • wR(F2) = 0.061

  • S = 1.11

  • 1836 reflections

  • 161 parameters

  • 1 restraint

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 0.34 e Å-3

  • [Delta][rho]min = -0.51 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N1-H1A...Cl1i 0.92 (4) 2.40 (4) 3.310 (2) 170 (3)
N1-H1B...Cl2ii 0.80 (3) 2.60 (4) 3.360 (2) 159 (3)
O2-H2...Cl1iii 0.89 (4) 2.26 (4) 3.1250 (17) 164 (3)
O7-H7...O1iv 0.86 (4) 1.83 (4) 2.676 (2) 167 (3)
N6-H6A...Cl2v 0.80 (4) 2.65 (4) 3.439 (2) 168 (3)
N6-H6B...Cl2vi 0.87 (4) 2.54 (4) 3.409 (3) 172 (4)
Symmetry codes: (i) x-1, y, z; (ii) x, y, z+1; (iii) [-x+1, y+{\script{1\over 2}}, -z+1]; (iv) x+1, y, z; (v) [-x+1, y+{\script{1\over 2}}, -z]; (vi) [-x, y+{\script{1\over 2}}, -z].

Data collection: CAD-4 EXPRESS (Enraf-Nonius, 1994[Enraf-Nonius (1994). CAD-4 EXPRESS. Version 5.1. Enraf-Nonius, Delft, The Netherlands.]); cell refinement: CAD-4 EXPRESS; data reduction: XCAD4 (Harms & Wocadlo, 1995[Harms, K. & Wocadlo, S. (1995). XCAD4. University of Marburg, Germany.]); program(s) used to solve structure: SIR92 (Altomare et al., 1994[Altomare, A., Cascarano, G., Giacovazzo, C., Guagliardi, A., Burla, M. C., Polidori, G. & Camalli, M. (1994). J. Appl. Cryst. 27, 435.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: CAMERON (Watkin et al., 1996[Watkin, D. J., Prout, C. K. & Pearce, L. J. (1996). CAMERON. Chemical Crystallography Laboratory, University of Oxford, England.]); software used to prepare material for publication: WinGX (Farrugia, 1999[Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.]).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: IM2054 ).

References

Altomare, A., Cascarano, G., Giacovazzo, C., Guagliardi, A., Burla, M. C., Polidori, G. & Camalli, M. (1994). J. Appl. Cryst. 27, 435.  [CrossRef] [details]
Bekaert, A., Lemoine, P., Brion, J. D. & Viossat, B. (2005). Acta Cryst. C61, m76-m77.  [CrossRef] [details]
Bekaert, A., Lemoine, P., Brion, J. D. & Viossat, B. (2007). Acta Cryst. E63, o3187-o3189.  [CrossRef] [details]
Chen, L., Wang, X.-W., Chen, F.-P., Chen, Y. & Chen, J.-Z. (2006). Acta Cryst. E62, m1743-m1745.  [CrossRef] [details]
Enraf-Nonius (1994). CAD-4 EXPRESS. Version 5.1. Enraf-Nonius, Delft, The Netherlands.
Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.  [CrossRef] [details]
Girma, K. B., Lorentz, V., Blaurock, S. & Edelmann, F. T. (2005). Z. Anorg. Allg. Chem. 631, 2763-2769.  [CrossRef] [ChemPort]
Harms, K. & Wocadlo, S. (1995). XCAD4. University of Marburg, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Watkin, D. J., Prout, C. K. & Pearce, L. J. (1996). CAMERON. Chemical Crystallography Laboratory, University of Oxford, England.

Acta Cryst (2008). E64, m471  [ doi:10.1107/S1600536808004066 ]

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