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Volume 69 
Part 1 
Page m26  
January 2013  

Received 25 November 2012
Accepted 3 December 2012
Online 8 December 2012

Key indicators
Single-crystal X-ray study
T = 223 K
Mean [sigma](C-C) = 0.008 Å
Disorder in solvent or counterion
R = 0.052
wR = 0.129
Data-to-parameter ratio = 11.8
Details
Open access

Bis(1,10-phenanthroline-[kappa]2N,N')(sulfato-[kappa]2O,O')cobalt(II) propane-1,2-diol monosolvate

aDepartment of Applied Chemistry, Nanjing College of Chemical Technology, Nanjing 210048, People's Republic of China
Correspondence e-mail: zklong76@163.com

In the title compound, [Co(SO4)(C12H8N2)2]·C3H8O2, the CoII atom (site symmetry 2) has a distorted octahedral coordination composed of four N atoms from two chelating 1,10-phenanthroline ligands and two O atoms from an O,O'-bidentate sulfate ligand, in which the S atom has site symmetry 2. The dihedral angle between the two chelating N2C2 groups is 84.46 (15)°. The complex and solvent molecules are connected through O-H...O hydrogen bonds. The solvent molecule is equally disordered over two positions and is also located on a twofold axis.

Related literature

The title complex has been reported with other solvant molecules. In the case of ethane-1,2-diol, see: Zhong et al. (2006[Zhong, K.-L., Zhu, Y.-M. & Lu, W.-J. (2006). Acta Cryst. E62, m631-m633.]); for propane-1,3-diol, see: Zhong (2010[Zhong, K.-L. (2010). Acta Cryst. E66, m247.]); for butane-2,3-diol, see: Wang & Zhong (2011[Wang, S.-J. & Zhong, K.-L. (2011). Acta Cryst. E67, m446.]). For crystal engineering aspects of coordination framework structures, see: Batten & Robson (1998[Batten, S. R. & Robson, R. (1998). Angew. Chem. Int. Ed. 37, 1460-1494.]); Robin & Fromm (2006[Robin, A.-Y. & Fromm, K. M. (2006). Coord. Chem. Rev. 250, 2127-2157.]).

[Scheme 1]

Experimental

Crystal data
  • [Co(SO4)(C12H8N2)2]·C3H8O2

  • Mr = 591.49

  • Monoclinic, C 2/c

  • a = 18.117 (4) Å

  • b = 12.987 (3) Å

  • c = 12.881 (3) Å

  • [beta] = 121.46 (3)°

  • V = 2585.2 (13) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.80 mm-1

  • T = 223 K

  • 0.35 × 0.34 × 0.25 mm

Data collection
  • Rigaku Mercury CCD diffractometer

  • Absorption correction: multi-scan (REQAB; Jacobson, 1998[Jacobson, R. (1998). REQAB. Molecular Structure Corporation, The Woodlands, Texas, USA.]) Tmin = 0.373, Tmax = 1.000

  • 11477 measured reflections

  • 2284 independent reflections

  • 1465 reflections with I > 2/s(I)

  • Rint = 0.100

Refinement
  • R[F2 > 2[sigma](F2)] = 0.052

  • wR(F2) = 0.129

  • S = 0.95

  • 2284 reflections

  • 193 parameters

  • 38 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.37 e Å-3

  • [Delta][rho]min = -0.39 e Å-3

Table 1
Selected bond lengths (Å)

Co1-O1 2.124 (3)
Co1-N1 2.123 (3)
Co1-N2 2.145 (4)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O3-H3...O2 0.82 1.95 2.698 (9) 150
O3'-H3'...O2 0.82 2.01 2.730 (10) 146

Data collection: CrystalClear (Rigaku, 2007[Rigaku (2007). CrystalClear. Rigaku Corporation, Tokyo, Japan.]); cell refinement: CrystalClear; data reduction: CrystalClear; 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: XP in 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: VN2062 ).


Acknowledgements

This work was supported by the Scientific Research Foundation of Nanjing College of Chemical Technology (grant No. NHKY-2010-17).

References

Batten, S. R. & Robson, R. (1998). Angew. Chem. Int. Ed. 37, 1460-1494.  [ISI] [CrossRef]
Jacobson, R. (1998). REQAB. Molecular Structure Corporation, The Woodlands, Texas, USA.
Rigaku (2007). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Robin, A.-Y. & Fromm, K. M. (2006). Coord. Chem. Rev. 250, 2127-2157.  [ISI] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Wang, S.-J. & Zhong, K.-L. (2011). Acta Cryst. E67, m446.  [CSD] [CrossRef] [details]
Zhong, K.-L. (2010). Acta Cryst. E66, m247.  [CSD] [CrossRef] [details]
Zhong, K.-L., Zhu, Y.-M. & Lu, W.-J. (2006). Acta Cryst. E62, m631-m633.  [CSD] [CrossRef] [details]


Acta Cryst (2013). E69, m26  [ doi:10.1107/S1600536812049616 ]

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