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Volume 69 
Part 8 
Page m454  
August 2013  

Received 28 June 2013
Accepted 9 July 2013
Online 13 July 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.009 Å
Disorder in solvent or counterion
R = 0.062
wR = 0.114
Data-to-parameter ratio = 11.7
Details
Open access

Diaquabis(pyridine-2-carboxylato-[kappa]2N,O)zinc dimethylformamide hemisolvate

aInstitute of Applied Physics, Academy of Sciences of R. Moldova, Academy str. 5, MD2028 Chisinau, Republic of Moldova, and bInstitute of Chemistry, Academy of Sciences of R. Moldova, Academy str. 3, MD2028 Chisinau, Republic of Moldova
Correspondence e-mail: croitor.lilia@gmail.com

In the title compound, [Zn(C6H4NO2)2(H2O)2]·0.5C3H7NO, the ZnII ion is coordinated in a distorted octahedral N2O4 environment by two N,O-chelating pyridine-2-carboxylate ligands and two cis water molecules. The chelating pyridine-2-carboxylate ligands create two five-membered Zn/N/C/C/O rings, which form a dihedral angle of 86.4 (2)°. In the crystal, O-H...O hydrogen bonds link the complex molecules into a two-dimensional network parallel to (100). The dimethylformamide solvent molecule is disordered about a twofold rotation axis.

Related literature

For background to polydentate ligands, see: Udvardy et al. (2013[Udvardy, A., Bényei, A. C., Juhász, P., Joó, F. & Kathó, Á. (2013). Polyhedron, 60, 1-9.]); Groni et al. (2008[Groni, S., Dorlet, P., Blain, G., Bourcier, S., Guillot, R. & Anxolabehere-Mallart, E. (2008). Inorg. Chem. 47, 3166-3172.]); Golenya et al. (2011[Golenya, I. A., Boyko, A. N., Kalibabchuk, V. A., Haukka, M. & Tomyn, S. V. (2011). Acta Cryst. E67, m1558-m1559.]); Ma et al. (2009[Ma, K., Shi, Q., Hu, M., Cai, X. & Huang, S. (2009). Inorg. Chim. Acta, 362, 4926-4930.]). For related structures, see: Chen & Hu (2011[Chen, W.-T. & Hu, L. (2011). Acta Chim. Slov. 58, 167-170.]); Li et al. (2008[Li, X.-B., Shang, R.-L. & Sun, B.-W. (2008). Acta Cryst. E64, m131.]); Lumme et al. (1969[Lumme, P., Lundgren, G. & Mark, W. (1969). Acta Chem. Scand. 23, 3011-3022.]); Takenaka et al. (1970[Takenaka, A., Utsumi, H., Ishihara, N., Furusaki, A. & Nitta, I. (1970). J. Chem. Soc. Jpn Pure Chem. 91, 921-928.]); Uggla et al. (1969[Uggla, R., Lundell, S. & Patrikka, J. (1969). Suom. Kemistil. B, 42, 270.]). For hydrogen-bond graph-set motifs, see: Bernstein et al. (1995[Bernstein, J., Davis, R. E., Shimoni, L. & Chang, N.-L. (1995). Angew. Chem. Int. Ed. 34, 1555-1573.]).

[Scheme 1]

Experimental

Crystal data
  • [Zn(C6H4NO2)2(H2O)2]·0.5C3H7NO

  • Mr = 382.16

  • Monoclinic, C 2/c

  • a = 25.777 (3) Å

  • b = 8.6754 (4) Å

  • c = 16.7916 (17) Å

  • [beta] = 125.228 (15)°

  • V = 3067.4 (5) Å3

  • Z = 8

  • Mo K[alpha] radiation

  • [mu] = 1.64 mm-1

  • T = 293 K

  • 0.18 × 0.12 × 0.02 mm

Data collection
  • Agilent Xcalibur Eos diffractometer

  • Absorption correction: multi-scan (CrysAlis PRO; Agilent, 2011[Agilent (2011). CrysAlis PRO. Agilent Technologies, Yarnton, England.]) Tmin = 0.906, Tmax = 1.000

  • 4865 measured reflections

  • 2844 independent reflections

  • 1772 reflections with I > 2[sigma](I)

  • Rint = 0.055

Refinement
  • R[F2 > 2[sigma](F2)] = 0.062

  • wR(F2) = 0.114

  • S = 1.00

  • 2844 reflections

  • 244 parameters

  • 162 restraints

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

  • [Delta][rho]max = 0.47 e Å-3

  • [Delta][rho]min = -0.44 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1W-H1W1...O4i 0.86 (2) 1.86 (2) 2.715 (6) 174 (5)
O1W-H2W1...O2ii 0.86 (2) 1.89 (2) 2.723 (5) 163 (5)
O2W-H1W2...O2iii 0.86 (2) 1.98 (3) 2.768 (5) 152 (4)
O2W-H2W2...O3i 0.87 (2) 1.85 (2) 2.704 (5) 170 (4)
Symmetry codes: (i) [-x+{\script{1\over 2}}, y+{\script{1\over 2}}, -z+{\script{3\over 2}}]; (ii) [-x+{\script{1\over 2}}, -y+{\script{1\over 2}}, -z+2]; (iii) [x, -y+1, z-{\script{1\over 2}}].

Data collection: CrysAlis PRO (Agilent, 2011[Agilent (2011). CrysAlis PRO. Agilent Technologies, Yarnton, England.]); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; 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: LH5630 ).


References

Agilent (2011). CrysAlis PRO. Agilent Technologies, Yarnton, England.
Bernstein, J., Davis, R. E., Shimoni, L. & Chang, N.-L. (1995). Angew. Chem. Int. Ed. 34, 1555-1573.  [CrossRef] [ChemPort] [Web of Science]
Chen, W.-T. & Hu, L. (2011). Acta Chim. Slov. 58, 167-170.  [ChemPort]
Golenya, I. A., Boyko, A. N., Kalibabchuk, V. A., Haukka, M. & Tomyn, S. V. (2011). Acta Cryst. E67, m1558-m1559.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]
Groni, S., Dorlet, P., Blain, G., Bourcier, S., Guillot, R. & Anxolabehere-Mallart, E. (2008). Inorg. Chem. 47, 3166-3172.  [Web of Science] [CSD] [CrossRef] [PubMed] [ChemPort]
Li, X.-B., Shang, R.-L. & Sun, B.-W. (2008). Acta Cryst. E64, m131.  [CSD] [CrossRef] [IUCr Journals]
Lumme, P., Lundgren, G. & Mark, W. (1969). Acta Chem. Scand. 23, 3011-3022.  [CrossRef] [ChemPort]
Ma, K., Shi, Q., Hu, M., Cai, X. & Huang, S. (2009). Inorg. Chim. Acta, 362, 4926-4930.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Takenaka, A., Utsumi, H., Ishihara, N., Furusaki, A. & Nitta, I. (1970). J. Chem. Soc. Jpn Pure Chem. 91, 921-928.  [ChemPort]
Udvardy, A., Bényei, A. C., Juhász, P., Joó, F. & Kathó, Á. (2013). Polyhedron, 60, 1-9.  [CrossRef] [ChemPort]
Uggla, R., Lundell, S. & Patrikka, J. (1969). Suom. Kemistil. B, 42, 270.


Acta Cryst (2013). E69, m454  [ doi:10.1107/S1600536813018941 ]

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