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Volume 69 
Part 1 
Page m9  
January 2013  

Received 20 November 2012
Accepted 29 November 2012
Online 5 December 2012

Key indicators
Single-crystal X-ray study
T = 100 K
Mean [sigma](C-C) = 0.002 Å
R = 0.023
wR = 0.064
Data-to-parameter ratio = 16.9
Details
Open access

Diaquabis(nitrato-[kappa]O)bis(pyridine-[kappa]N)manganese(II)

aDepartment of Chemistry, Quaid-i-Azam University, Islamabad 45320, Pakistan
Correspondence e-mail: mkhawarrauf@yahoo.co.uk, shahid_chme@yahoo.com

The structure of the title manganese complex, [Mn(NO3)2(C5H5N)2(H2O)2], consists of discrete monomeric entities with Mn2+ ions located on centres of inversion. The metal cation is octahedrally coordinated by a trans-N2O4 donor set with the pyridine N atoms located in the apical positions. Discrete molecules are linked by O-H...O hydrogen bonds into one-dimensional supramolecular infinite chains along the b and c axes.

Related literature

For our previous work on the structural chemistry of transition metal complexes, see: Shahid et al. (2010[Shahid, M., Mazhar, M., Hamid, M., 'O Brien, P., Malik, M. A., Helliwell, M. & Raftery, J. (2010). Appl. Organomet. Chem. 24, 714-720.]). For details concerning the geometric parameters of MnII complexes, see: Saphu et al. (2012[Saphu, W., Chanthee, S., Chainok, K., Harding, D. J. & Pakawatchai, C. (2012). Acta Cryst. E68, m1026.]).

[Scheme 1]

Experimental

Crystal data
  • [Mn(NO3)2(C5H5N)2(H2O)2]

  • Mr = 373.19

  • Monoclinic, P 21 /c

  • a = 8.8988 (7) Å

  • b = 11.8668 (10) Å

  • c = 7.5950 (6) Å

  • [beta] = 107.500 (1)°

  • V = 764.91 (11) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 0.91 mm-1

  • T = 100 K

  • 0.43 × 0.39 × 0.39 mm

Data collection
  • Bruker SMART APEX CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2003[Bruker (2003). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.583, Tmax = 0.701

  • 6644 measured reflections

  • 1897 independent reflections

  • 1817 reflections with I > 2[sigma](I)

  • Rint = 0.016

Refinement
  • R[F2 > 2[sigma](F2)] = 0.023

  • wR(F2) = 0.064

  • S = 1.08

  • 1897 reflections

  • 112 parameters

  • 2 restraints

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

  • [Delta][rho]max = 0.34 e Å-3

  • [Delta][rho]min = -0.30 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1-H1B...O4i 0.82 (1) 1.98 (1) 2.7805 (11) 163 (2)
O1-H1A...O2ii 0.84 (1) 2.63 (2) 3.2504 (11) 132 (1)
O1-H1A...O4ii 0.84 (1) 1.91 (1) 2.7495 (11) 174 (2)
Symmetry codes: (i) -x+1, -y+1, -z+1; (ii) [-x+1, y-{\script{1\over 2}}, -z+{\script{1\over 2}}].

Data collection: SMART (Bruker, 2002[Bruker (2002). SMART and SAINT-Plus. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT-Plus (Bruker, 2002[Bruker (2002). SMART and SAINT-Plus. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; 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: BR2215 ).


Acknowledgements

MKR is grateful to Quaid-i-Azam University, Islamabad, for financial support through a Postdoctoral Fellowship.

References

Bruker (2002). SMART and SAINT-Plus. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2003). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Saphu, W., Chanthee, S., Chainok, K., Harding, D. J. & Pakawatchai, C. (2012). Acta Cryst. E68, m1026.  [CSD] [CrossRef] [details]
Shahid, M., Mazhar, M., Hamid, M., 'O Brien, P., Malik, M. A., Helliwell, M. & Raftery, J. (2010). Appl. Organomet. Chem. 24, 714-720.  [ISI] [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [ISI] [CrossRef] [ChemPort] [details]


Acta Cryst (2013). E69, m9  [ doi:10.1107/S1600536812049161 ]

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