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Volume 69 
Part 1 
Page m67  
January 2013  

Received 2 December 2012
Accepted 14 December 2012
Online 22 December 2012

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.003 Å
R = 0.035
wR = 0.084
Data-to-parameter ratio = 15.7
Details
Open access

Diaquabis[4-(1H-imidazol-2-yl)pyridine-[kappa]N]bis(nitrato-[kappa]O)cadmium

aHubei Key Laboratory of Pollutant Analysis & Reuse Technology, College of Chemistry and Environmental Engineering, Hubei Normal University, Huangshi 435002, People's Republic of China
Correspondence e-mail: jincm1999@yahoo.com

In the title compound, [Cd(NO3)2(C8H7N3)2(H2O)2], the CdII cation is situated on an inversion center and is coordinated by the O atoms of two nitrate anions, by the N atoms of two 4-(imidazol-2-yl)pyridine ligands and by two water O atoms in a slightly distorted N2O4 octahedral geometry. The dihedral angle between the imidazole and pyridine rings is 1.6 (2)°. In the crystal, molecules are linked by N-H...O, O-H...N and O-H...O hydrogen bonds, forming a three-dimensional network.

Related literature

For background to compounds with metal-organic framework (MOF) structures, see: Batten & Robson (1998[Batten, S. R. & Robson, R. (1998). Angew. Chem. Int. Ed. Engl. 37, 1460-1494.]); Burrows (2011[Burrows, A. D. (2011). CrystEngComm, 13, 3623-3642.]); Jin et al. (2010[Jin, C.-M., Zhu, Z., Chen, Z.-F., Hu, Y.-J. & Meng, X.-G. (2010). Cryst. Growth Des. 10, 2054-2056.]); Tanabe & Cohen (2011[Tanabe, K. K. & Cohen, S. M. (2011). Chem. Soc. Rev. 40, 498-519.]). For the use of N,N'-type ligands in MOFs, see: Custelcean (2010[Custelcean, R. (2010). Chem. Soc. Rev. 39, 3675-3685.]); Pschirer et al. (2002[Pschirer, N. G., Curtin, D. M., Smith, M. D., Bunz, U. H. F. & Zur Loye, H.-C. (2002). Angew. Chem. Int. Ed. Engl. 41, 583-585.]). For the structural analysis of an imidazole closely related to the ligand, see: Voss et al. (2008[Voss, M. E., Beer, C. M., Mitchell, S. A., Blomgren, P. A. & Zhichkin, P. E. (2008). Tetrahedron, 64, 645-651.]).

[Scheme 1]

Experimental

Crystal data
  • [Cd(NO3)2(C8H7N3)2(H2O)2]

  • Mr = 562.78

  • Monoclinic, P 21 /n

  • a = 7.2508 (7) Å

  • b = 12.1372 (12) Å

  • c = 12.3509 (12) Å

  • [beta] = 102.278 (2)°

  • V = 1062.07 (18) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.09 mm-1

  • T = 298 K

  • 0.16 × 0.12 × 0.10 mm

Data collection
  • Bruker APEXII CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.845, Tmax = 0.899

  • 6543 measured reflections

  • 2462 independent reflections

  • 2272 reflections with I > 2[sigma](I)

  • Rint = 0.046

Refinement
  • R[F2 > 2[sigma](F2)] = 0.035

  • wR(F2) = 0.084

  • S = 1.10

  • 2462 reflections

  • 157 parameters

  • 3 restraints

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

  • [Delta][rho]max = 0.73 e Å-3

  • [Delta][rho]min = -0.47 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N3-H3...O3i 0.86 2.10 2.923 (3) 160
O4-H4B...N2ii 0.82 (1) 1.98 (1) 2.796 (3) 174 (4)
O4-H4A...O2iii 0.81 (1) 2.14 (1) 2.946 (4) 174 (4)
O4-H4A...O3iii 0.81 (1) 2.65 (3) 3.197 (3) 126 (3)
Symmetry codes: (i) [-x+{\script{3\over 2}}, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]; (ii) [x+{\script{1\over 2}}, -y+{\script{3\over 2}}, z+{\script{1\over 2}}]; (iii) x+1, y, z.

Data collection: APEX2 (Bruker, 2004[Bruker (2004). SAINT-Plus and APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT-Plus (Bruker, 2004[Bruker (2004). SAINT-Plus and APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT-Plus; 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: IM2415 ).


Acknowledgements

We gratefully acknowledge financial support by the National Natural Science Foundation of China (21171053) and the Science Foundation of Hubei Provincial Department of Education (Z20102501).

References

Batten, S. R. & Robson, R. (1998). Angew. Chem. Int. Ed. Engl. 37, 1460-1494.  [ISI] [CrossRef]
Bruker (2004). SAINT-Plus and APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.
Burrows, A. D. (2011). CrystEngComm, 13, 3623-3642.  [ISI] [CrossRef] [ChemPort]
Custelcean, R. (2010). Chem. Soc. Rev. 39, 3675-3685.  [ISI] [CrossRef] [ChemPort] [PubMed]
Jin, C.-M., Zhu, Z., Chen, Z.-F., Hu, Y.-J. & Meng, X.-G. (2010). Cryst. Growth Des. 10, 2054-2056.  [CrossRef] [ChemPort]
Pschirer, N. G., Curtin, D. M., Smith, M. D., Bunz, U. H. F. & Zur Loye, H.-C. (2002). Angew. Chem. Int. Ed. Engl. 41, 583-585.  [CrossRef] [ChemPort]
Sheldrick, G. M. (1996). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Tanabe, K. K. & Cohen, S. M. (2011). Chem. Soc. Rev. 40, 498-519.  [ISI] [CrossRef] [ChemPort] [PubMed]
Voss, M. E., Beer, C. M., Mitchell, S. A., Blomgren, P. A. & Zhichkin, P. E. (2008). Tetrahedron, 64, 645-651.  [CrossRef] [ChemPort]


Acta Cryst (2013). E69, m67  [ doi:10.1107/S1600536812050908 ]

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