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Volume 69 
Part 7 
Page m373  
July 2013  

Received 8 April 2013
Accepted 9 May 2013
Online 8 June 2013

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](O-C) = 0.007 Å
Disorder in main residue
R = 0.041
wR = 0.100
Data-to-parameter ratio = 11.7
Details
Open access

Pentaaqua(dimethylformamide)cobalt(II) sulfate dimethylformamide monosolvate

aGiresun University, Department of Chemistry, Art and Sciences Faculty, Giresun, Turkey
Correspondence e-mail: murat.tas@giresun.edu.tr

The title compound, [Co(C3H7NO)(H2O)5]SO4·C3H7NO, contains five aqua ligands, a CoII atom, a sulfate ion and both a coordinating and a non-coordinating dimethylformamide (DMF) molecule. The DMF solvent molecule lies between the complex units, which are located along the b axis. The sulfate ion is for charge balance. The CoII atom has distorted octahedral coordination geometry, being ligated by five aqua ligands and the O atom of the DMF ligand. O-H...O hydrogen bonds between the aqua ligands and the sulfate anion and non-coordinating DMF molecule lead to the formation of a three-dimensional network. Since all constituents lie on a mirror plane, the H atoms of all methyl groups and of one of the aqua ligands are equally disordered over two positions.

Related literature

For background to the use of DMF, see: Kolthoff et al. (1970[Kolthoff, I. M., Chantooni, M. K. & Smagowski, H. (1970). Anal. Chem. 42, 1622-1628.]); Pastoriza-Santos & Liz-Marzan (1999[Pastoriza-Santos, I. & Liz-Marzan, L. M. (1999). Langmuir, 15, 948-951.]); Kimmerle & Eben (1975[Kimmerle, G. & Eben, A. (1975). Int. Arch. Arbeitsmed. 34, 109-126.]); Gescher (1993[Gescher, A. (1993). Chem. Res. Toxicol., 6, 245-251.]); Zhou et al. (1996[Zhou, X., Krauser, J. A., Tate, D. R., VanBuren, A. S., Clark, J. A., Moody, P. R. & Liu, R. (1996). J. Phys. Chem. 100, 16822-16827.]); Matwiyoff (1966[Matwiyoff, N. C. (1966). Inorg. Chem. 5, 788-795.]). For amide complexes, see: Rao et al. (1984[Rao, C. P., Rao, M. & Rao, C. N. R. (1984). Inorg. Chem. 23, 2080-2085.]); Angus et al. (1993[Angus, P. M., Fairlie, D. P. & Jackson, W. G. (1993). Inorg. Chem. 32, 450-459.]); Khum & Maclntyre (1965[Khum, S. J. & Maclntyre, J. S. (1965). Can. J. Chem. 43 375-380.]).

[Scheme 1]

Experimental

Crystal data
  • [Co(C3H7NO)(H2O)5]SO4·C3H7NO

  • Mr = 391.26

  • Orthorhombic, P n m a

  • a = 22.256 (8) Å

  • b = 7.449 (7) Å

  • c = 9.929 (9) Å

  • V = 1646 (2) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.22 mm-1

  • T = 298 K

  • 0.28 × 0.20 × 0.19 mm

Data collection
  • Agilent SuperNova diffractometer

  • Absorption correction: multi-scan (SCALE3 in ABSPACK; Agilent, 2011[Agilent (2011). CrysAlis PRO and ABSPACK. Aglient Technologies Ltd, Yarnton, England.]) Tmin = 0.956, Tmax = 1.000

  • 3903 measured reflections

  • 1627 independent reflections

  • 1407 reflections with I > 2[sigma](I)

  • Rint = 0.021

Refinement
  • R[F2 > 2[sigma](F2)] = 0.041

  • wR(F2) = 0.100

  • S = 1.14

  • 1627 reflections

  • 139 parameters

  • 3 restraints

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

  • [Delta][rho]max = 0.65 e Å-3

  • [Delta][rho]min = -0.38 e Å-3

Table 1
Selected bond lengths (Å)

Co1-O1 2.062 (4)
Co1-O2 2.101 (10)
Co1-O4 2.046 (4)
Co1-O3 2.110 (9)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1-H1A...O6i 0.86 1.95 2.792 (4) 171
O1-H1B...O6ii 0.86 2.26 2.792 (4) 120
O3-H3A...O5iii 0.85 (2) 1.99 (2) 2.807 (8) 162 (4)
O3-H3B...O8iv 0.88 (2) 1.85 (2) 2.731 (17) 178 (4)
O2-H2A...O6v 0.88 (2) 1.79 (2) 2.660 (3) 171 (4)
O2-H2B...O7iv 0.89 (4) 1.86 (4) 2.745 (15) 177 (4)
Symmetry codes: (i) [-x+{\script{1\over 2}}, -y+1, z-{\script{1\over 2}}]; (ii) [-x+{\script{1\over 2}}, y-{\script{1\over 2}}, z-{\script{1\over 2}}]; (iii) [x-{\script{1\over 2}}, -y+{\script{1\over 2}}, -z+{\script{1\over 2}}]; (iv) [-x+{\script{1\over 2}}, -y, z-{\script{1\over 2}}]; (v) [x, -y+{\script{1\over 2}}, z].

Data collection: CrysAlis PRO (Agilent, 2011[Agilent (2011). CrysAlis PRO and ABSPACK. Aglient Technologies Ltd, 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: OLEX2 (Dolomanov et al., 2009[Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K. & Puschmann, H. (2009). J. Appl. Cryst. 42, 339-341.]); software used to prepare material for publication: OLEX2.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BQ2385 ).


References

Agilent (2011). CrysAlis PRO and ABSPACK. Aglient Technologies Ltd, Yarnton, England.
Angus, P. M., Fairlie, D. P. & Jackson, W. G. (1993). Inorg. Chem. 32, 450-459.  [CrossRef] [ChemPort] [Web of Science]
Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K. & Puschmann, H. (2009). J. Appl. Cryst. 42, 339-341.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Gescher, A. (1993). Chem. Res. Toxicol., 6, 245-251.  [CrossRef] [ChemPort] [PubMed]
Khum, S. J. & Maclntyre, J. S. (1965). Can. J. Chem. 43 375-380.
Kimmerle, G. & Eben, A. (1975). Int. Arch. Arbeitsmed. 34, 109-126.  [CrossRef] [PubMed] [ChemPort]
Kolthoff, I. M., Chantooni, M. K. & Smagowski, H. (1970). Anal. Chem. 42, 1622-1628.  [CrossRef] [ChemPort] [Web of Science]
Matwiyoff, N. C. (1966). Inorg. Chem. 5, 788-795.  [CrossRef] [ChemPort] [Web of Science]
Pastoriza-Santos, I. & Liz-Marzan, L. M. (1999). Langmuir, 15, 948-951.  [ChemPort]
Rao, C. P., Rao, M. & Rao, C. N. R. (1984). Inorg. Chem. 23, 2080-2085.  [CrossRef] [ChemPort] [Web of Science]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Zhou, X., Krauser, J. A., Tate, D. R., VanBuren, A. S., Clark, J. A., Moody, P. R. & Liu, R. (1996). J. Phys. Chem. 100, 16822-16827.  [CrossRef] [ChemPort] [Web of Science]


Acta Cryst (2013). E69, m373  [ doi:10.1107/S1600536813012841 ]

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