[Journal logo]

Volume 69 
Part 3 
Page m172  
March 2013  

Received 31 January 2013
Accepted 11 February 2013
Online 28 February 2013

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.003 Å
R = 0.039
wR = 0.109
Data-to-parameter ratio = 13.2
Details
Open access

Diaquabis(1H-imidazole-4-carboxylato-[kappa]2N3,O4)manganese(II)

aCollege of Light Industry and Food Sciences, South China University of Technology, Guangzhou 510641, People's Republic of China,bEngineering Research Center of Starch and Vegetable Protein Processing, Ministry of Education, South China University of Technology, Guangzhou 510640, People's Republic of China, and cSchool of Chemical Engineering and Materials Science, Beijing Institute of Technology, Zhuhai 519088, People's Republic of China
Correspondence e-mail: adamscutzhbit@yahoo.com.cn

In the title compound, [Mn(C4H3N2O2)2(H2O)2], the MnII ion is located on a twofold rotation axis and displays a distorted octahedral coordination environment, defined by two N,O-bidentate 1H-imidazole-4-carboxylate ligands in the equatorial plane and two water molecules in axial positions. In the crystal, O-H...O and N-H...O hydrogen bonds link the molecules into a three-dimensional supramolecular network. [pi]-[pi] stacking interactions between the imidazole rings [centroid-centroid distances = 3.5188 (15) and 3.6687 (15) Å] further stabilize the structure.

Related literature

For related structures, see: Cai et al. (2012[Cai, S.-L., Pan, M., Zheng, S.-R., Tan, J.-B., Fan, J. & Zhang, W.-G. (2012). CrystEngComm, 14, 2308-2315.]); Chen (2012[Chen, W.-S. (2012). Acta Cryst. E68, m1246.]); Gryz et al. (2007[Gryz, M., Starosta, W. & Leciejewicz, J. (2007). J. Coord. Chem. 60, 539-546.]); Haggag (2005[Haggag, S. S. (2005). Egypt. J. Chem. 48, 27-41.]); Shuai et al. (2011[Shuai, W., Cai, S. & Zheng, S. (2011). Acta Cryst. E67, m897.]); Starosta & Leciejewicz (2006[Starosta, W. & Leciejewicz, J. (2006). Acta Cryst. E62, m2648-m2650.]); Yin et al. (2009[Yin, W.-P., Li, Y.-G., Mei, X.-L. & Yao, J.-C. (2009). Chin. J. Struct. Chem. 28, 1155-1159.]); Zheng et al. (2011[Zheng, S., Cai, S., Fan, J. & Zhang, W. (2011). Acta Cryst. E67, m865.]).

[Scheme 1]

Experimental

Crystal data
  • [Mn(C4H3N2O2)2(H2O)2]

  • Mr = 313.14

  • Orthorhombic, P c c n

  • a = 7.3052 (10) Å

  • b = 11.7997 (17) Å

  • c = 13.5156 (19) Å

  • V = 1165.0 (3) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.16 mm-1

  • T = 298 K

  • 0.36 × 0.32 × 0.30 mm

Data collection
  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2001[Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.679, Tmax = 0.721

  • 5775 measured reflections

  • 1145 independent reflections

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

  • Rint = 0.067

Refinement
  • R[F2 > 2[sigma](F2)] = 0.039

  • wR(F2) = 0.109

  • S = 1.07

  • 1145 reflections

  • 87 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.34 e Å-3

  • [Delta][rho]min = -0.57 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N2-H2...O2i 0.86 1.95 2.811 (3) 173
O1W-H1WA...O2ii 0.87 1.96 2.818 (2) 167
O1W-H1WB...O2iii 0.73 2.02 2.751 (2) 176
Symmetry codes: (i) [-x+{\script{1\over 2}}, y, z-{\script{1\over 2}}]; (ii) [-x+1, y-{\script{1\over 2}}, -z+{\script{3\over 2}}]; (iii) [-x+{\script{1\over 2}}, -y+{\script{3\over 2}}, z].

Data collection: APEX2 (Bruker, 2007[Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, 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: ORTEPIII (Burnett & Johnson, 1996[Burnett, M. N. & Johnson, C. K. (1996). ORTEPIII. Report ORNL-6895. Oak Ridge National Laboratory, Tennessee, USA.]) and PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HY2616 ).


Acknowledgements

The authors acknowledge the Engineering Research Center of Starch and Vegetable Protein Processing, Ministry of Education, South China University of Technology for supporting this work.

References

Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Burnett, M. N. & Johnson, C. K. (1996). ORTEPIII. Report ORNL-6895. Oak Ridge National Laboratory, Tennessee, USA.
Cai, S.-L., Pan, M., Zheng, S.-R., Tan, J.-B., Fan, J. & Zhang, W.-G. (2012). CrystEngComm, 14, 2308-2315.  [ISI] [CSD] [CrossRef] [ChemPort]
Chen, W.-S. (2012). Acta Cryst. E68, m1246.  [CrossRef] [details]
Gryz, M., Starosta, W. & Leciejewicz, J. (2007). J. Coord. Chem. 60, 539-546.  [ISI] [CSD] [CrossRef] [ChemPort]
Haggag, S. S. (2005). Egypt. J. Chem. 48, 27-41.  [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Shuai, W., Cai, S. & Zheng, S. (2011). Acta Cryst. E67, m897.  [CSD] [CrossRef] [details]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [ISI] [CrossRef] [details]
Starosta, W. & Leciejewicz, J. (2006). Acta Cryst. E62, m2648-m2650.  [CSD] [CrossRef] [details]
Yin, W.-P., Li, Y.-G., Mei, X.-L. & Yao, J.-C. (2009). Chin. J. Struct. Chem. 28, 1155-1159.  [ChemPort]
Zheng, S., Cai, S., Fan, J. & Zhang, W. (2011). Acta Cryst. E67, m865.  [CSD] [CrossRef] [details]


Acta Cryst (2013). E69, m172  [ doi:10.1107/S1600536813004091 ]

This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.