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Volume 68 
Part 5 
Page m562  
May 2012  

Received 31 March 2012
Accepted 4 April 2012
Online 13 April 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.003 Å
R = 0.034
wR = 0.079
Data-to-parameter ratio = 11.9
Details
Open access

Tetraaquabis[3-(pyridin-4-yl)benzoato-[kappa]N]manganese(II)

aDepartment of Environmental and Municipal Engineering, North China University of Water Conservancy and Electric Power, Zhengzhou 450011, People's Republic of China
Correspondence e-mail: gaoruqin@ncwu.edu.cn

In the title compound, [Mn(C12H8NO2)2(H2O)4], the Mn2+ ion lies on a twofold rotation axis and has a distorted N2O4 octahedral coordination geometry formed by four water O atoms in the equatorial plane and two apical pyridyl N atoms. A three-dimensional network is formed in the crystal structure by multiple O-H...O hydrogen bonds between the coordinating water molecules and the free carboxylate groups.

Related literature

For pyridyl-multicarboxylate-metal frameworks, see: Huang et al. (2007[Huang, Y., Wu, B., Yuan, D., Xu, Y., Jiang, F. & Hong, M. (2007). Inorg. Chem. 46, 1171-1176.]). For 3-pyridin-4-ylbenzoate compounds, see: Wu et al. (2011[Wu, B. L., Wang, R. Y., Zhang, H. Y. & Hou, H. W. (2011). Inorg. Chim. Acta, 375, 2-10.]) For the isotypic Co complex, see: Wang & Li (2011[Wang, H.-R. & Li, G.-T. (2011). Acta Cryst. E67, m1743.]).

[Scheme 1]

Experimental

Crystal data
  • [Mn(C12H8NO2)2(H2O)4]

  • Mr = 523.39

  • Monoclinic, C 2/c

  • a = 24.935 (3) Å

  • b = 7.1911 (6) Å

  • c = 13.9283 (16) Å

  • [beta] = 112.199 (13)°

  • V = 2312.4 (4) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.63 mm-1

  • T = 293 K

  • 0.24 × 0.20 × 0.16 mm

Data collection
  • Siemens SMART CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.875, Tmax = 0.913

  • 4456 measured reflections

  • 2035 independent reflections

  • 1673 reflections with I > 2[sigma](I)

  • Rint = 0.028

Refinement
  • R[F2 > 2[sigma](F2)] = 0.034

  • wR(F2) = 0.079

  • S = 1.05

  • 2035 reflections

  • 171 parameters

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

  • [Delta][rho]max = 0.19 e Å-3

  • [Delta][rho]min = -0.20 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O3-H3A...O2i 0.86 (2) 1.91 (2) 2.732 (2) 160 (2)
O3-H3B...O1ii 0.80 (2) 1.92 (3) 2.715 (2) 175 (2)
O4-H4A...O1iii 0.86 (3) 1.86 (3) 2.728 (2) 176 (2)
O4-H4B...O2iv 0.84 (2) 1.92 (2) 2.726 (2) 161 (2)
Symmetry codes: (i) [-x+{\script{1\over 2}}, -y+{\script{1\over 2}}, -z+2]; (ii) [x-{\script{1\over 2}}, y+{\script{1\over 2}}, z]; (iii) [-x+{\script{1\over 2}}, y-{\script{1\over 2}}, -z+{\script{3\over 2}}]; (iv) [x-{\script{1\over 2}}, -y+{\script{1\over 2}}, z-{\script{1\over 2}}].

Data collection: SMART (Siemens, 1996[Siemens (1996). SMART. Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Siemens, 1994[Siemens (1994). SAINT. Siemens Analytical X-ray Instruments 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: XP in SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BT5868 ).


Acknowledgements

This work was supported by the Natural Science Foundation of China.

References

Huang, Y., Wu, B., Yuan, D., Xu, Y., Jiang, F. & Hong, M. (2007). Inorg. Chem. 46, 1171-1176.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Siemens (1994). SAINT. Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA.
Siemens (1996). SMART. Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA.
Wang, H.-R. & Li, G.-T. (2011). Acta Cryst. E67, m1743.  [CSD] [CrossRef] [details]
Wu, B. L., Wang, R. Y., Zhang, H. Y. & Hou, H. W. (2011). Inorg. Chim. Acta, 375, 2-10.  [ISI] [CSD] [CrossRef] [ChemPort]


Acta Cryst (2012). E68, m562  [ doi:10.1107/S1600536812014602 ]

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