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Volume 68 
Part 11 
Pages m1398-m1399  
November 2012  

Received 14 October 2012
Accepted 18 October 2012
Online 24 October 2012

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.004 Å
Disorder in main residue
R = 0.040
wR = 0.095
Data-to-parameter ratio = 15.7
Details
Open access

trans-Bis[4-amino-N-(pyrimidin-2-yl-[kappa]N)benzenesulfonamidato-[kappa]N]bis(N,N-dimethylformamide-[kappa]O)cobalt(II)

aCollege of Chemistry and Bioengineering, Guilin University of Technology, Guilin 541004, People's Republic of China
Correspondence e-mail: zsh720108@163.com

The title complex, [Co(C10H9N4O2S)2(C3H7NO)2], lies across an inversion center. The CoII atom is coordinated in a slightly distorted octahedral geometry by four N atoms from two bidentate 4-amino-N-(pyrimidin-2-yl)benzenesulfonamidate (sulfadiazine) anions and two O atoms from two dimethylformamide (DMF) ligands. The dihedral angle between the benzene and pyrimidine rings is 82.37 (13)°. A three-dimensional network is generated by N-H...O hydrogen bonds between the amino groups and of the sulfonamidate O atoms of neighbouring molecules. The DMF ligand is disordered over two sets of sites in a 0.559 (4):0.441 (4) ratio.

Related literature

For background to sulfonamides, see: Connor (1998[Connor, E. E. (1998). Prim. Care Update Ob Gyns, 5, 32-35.]). For background to metal complexes of sulfadiazine, see: Wang et al. (2009[Wang, Y.-F., Li, F.-X., Peng, Y., Chen, Z.-F. & Liang, H. (2009). Acta Cryst. E65, m1584.], 2010[Wang, Y.-F., Zou, H.-L., Luo, X.-J., Chen, Z.-F. & Liang, H. (2010). Acta Cryst. E66, m548.]); Ajibade et al. (2006[Ajibade, P. A., Kolawole, G. A., O'Brien, P., Helliwell, M. & Raftery, J. (2006). Inorg. Chim. Acta, 359, 3111-3116.]); Hossain et al. (2011[Hossain, G. M. G. (2011). Acta Cryst. E67, m805-m806.]); Tommasino et al. (2011[Tommasino, J. B., Renaud, F. N. R., Luneau, D. & Pilet, G. (2011). Polyhedron, 30, 1663-1670.]); Ghosh et al. (2011[Ghosh, S., Bag, P. P. & Reddy, C. M. (2011). Cryst. Growth Des. 11, 3489-3503.]).

[Scheme 1]

Experimental

Crystal data
  • [Co(C10H9N4O2S)2(C3H7NO)2]

  • Mr = 703.67

  • Monoclinic, P 21 /c

  • a = 8.9008 (6) Å

  • b = 11.2078 (6) Å

  • c = 16.5565 (9) Å

  • [beta] = 102.147 (6)°

  • V = 1614.67 (16) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 0.72 mm-1

  • T = 298 K

  • 0.28 × 0.25 × 0.20 mm

Data collection
  • Bruker SMART CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2001[Bruker (2001). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.815, Tmax = 0.869

  • 13220 measured reflections

  • 3495 independent reflections

  • 2989 reflections with I > 2[sigma](I)

  • Rint = 0.028

Refinement
  • R[F2 > 2[sigma](F2)] = 0.040

  • wR(F2) = 0.095

  • S = 0.99

  • 3495 reflections

  • 222 parameters

  • 36 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.33 e Å-3

  • [Delta][rho]min = -0.35 e Å-3

Table 1
Selected bond lengths (Å)

Co1-O1 2.065 (19)
Co1-N1 2.121 (2)
Co1-N2 2.1460 (18)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N4-H4B...O3i 0.86 2.31 3.112 (3) 155
N4-H4C...O3ii 0.86 2.27 2.951 (3) 136
Symmetry codes: (i) [x, -y+{\script{3\over 2}}, z+{\script{1\over 2}}]; (ii) [-x+1, y+{\script{1\over 2}}, -z+{\script{1\over 2}}].

Data collection: SMART (Bruker, 2001[Bruker (2001). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2001[Bruker (2001). SMART, SAINT and SADABS. 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: 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: WM2693 ).


Acknowledgements

This work was supported financially by the National Natural Science Foundation of China (No. 21161006), the Innovation Project of Guangxi Graduate Education (2010105960817M03) and by the doctoral start-up research fund of Guilin University of Technology (to SHZ).

References

Ajibade, P. A., Kolawole, G. A., O'Brien, P., Helliwell, M. & Raftery, J. (2006). Inorg. Chim. Acta, 359, 3111-3116.  [ISI] [CSD] [CrossRef] [ChemPort]
Bruker (2001). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Connor, E. E. (1998). Prim. Care Update Ob Gyns, 5, 32-35.  [CrossRef]
Ghosh, S., Bag, P. P. & Reddy, C. M. (2011). Cryst. Growth Des. 11, 3489-3503.  [CSD] [CrossRef] [ChemPort]
Hossain, G. M. G. (2011). Acta Cryst. E67, m805-m806.  [CSD] [CrossRef] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Tommasino, J. B., Renaud, F. N. R., Luneau, D. & Pilet, G. (2011). Polyhedron, 30, 1663-1670.  [ISI] [CSD] [CrossRef] [ChemPort]
Wang, Y.-F., Li, F.-X., Peng, Y., Chen, Z.-F. & Liang, H. (2009). Acta Cryst. E65, m1584.  [CSD] [CrossRef] [details]
Wang, Y.-F., Zou, H.-L., Luo, X.-J., Chen, Z.-F. & Liang, H. (2010). Acta Cryst. E66, m548.  [CSD] [CrossRef] [details]


Acta Cryst (2012). E68, m1398-m1399   [ doi:10.1107/S160053681204336X ]

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