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Volume 69 
Part 10 
Page m561  
October 2013  

Received 6 September 2013
Accepted 21 September 2013
Online 28 September 2013

Key indicators
Single-crystal X-ray study
T = 223 K
Mean [sigma](C-C) = 0.005 Å
Disorder in main residue
R = 0.041
wR = 0.102
Data-to-parameter ratio = 11.8
Details
Open access

Bis(1,10-phenanthroline-[kappa]2N,N')(sulfato-[kappa]O)zinc(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, [Zn(SO4)(C12H8N2)2]·C3H8O2, the ZnII ion is in a distorted square-pyramidal coordination environment composed of four N atoms from two chelating 1,10-phenanthroline ligands and one O atom from a monodentate sulfate ligand. The ZnII ion lies on a twofold rotation axis. The sulfate ligand and propane-1,2-diol molecules are disordered across the twofold rotation axis. The dihedral angle between the two chelating N2C2 groups is 83.26 (13)°. In the crystal, the complex molecule and the propane-1,2-diol molecule are connected through a pair of O-H...O hydrogen bonds.

Related literature

For the ethane-1,2-diol solvate of the title complex, see: Zhu et al. (2006[Zhu, Y.-M., Zhong, K.-L. & Lu, W.-J. (2006). Acta Cryst. E62, m2725-m2726.]) and for the propane-1,3-diol solvate of the title complex, see: Cui et al. (2010[Cui, J.-D., Zhong, K.-L. & Liu, Y.-Y. (2010). Acta Cryst. E66, m564.]). For related structures and background references, see: Batten & Robson (1998[Batten, S. R. & Robson, R. (1998). Chem. Commun. pp. 1067-1068.]); Zhang et al. (2010[Zhang, L.-P., Ma, J.-F., Yang, J., Pang, Y.-Y. & Ma, J.-C. (2010). Inorg. Chem. 49, 1535-1550.]); Zhong (2010[Zhong, K.-L. (2010). Acta Cryst. E66, m131.]); Zhong et al. (2011[Zhong, K.-L., Chen, L. & Chen, L. (2011). Acta Cryst. C67, m62-m64.]).

[Scheme 1]

Experimental

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

  • Mr = 597.93

  • Monoclinic, C 2/c

  • a = 17.3913 (10) Å

  • b = 12.9247 (7) Å

  • c = 13.2214 (7) Å

  • [beta] = 123.248 (5)°

  • V = 2485.4 (2) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.13 mm-1

  • T = 223 K

  • 0.35 × 0.20 × 0.15 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 = 0.968, Tmax = 1.000

  • 5735 measured reflections

  • 2191 independent reflections

  • 1878 reflections with I > 2[sigma](I)

  • Rint = 0.035

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

  • wR(F2) = 0.102

  • S = 1.06

  • 2191 reflections

  • 186 parameters

  • 4 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.73 e Å-3

  • [Delta][rho]min = -0.54 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O5-H5...O3 0.83 2.00 2.74 (3) 149
O6-H6...O4 0.83 2.11 2.89 (2) 155

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: LH5651 ).


Acknowledgements

This work was partially supported by the Scientific Research Foundation of Nanjing College of Chemical Technology (grant No. NHKY-2013-10)

References

Batten, S. R. & Robson, R. (1998). Chem. Commun. pp. 1067-1068.
Cui, J.-D., Zhong, K.-L. & Liu, Y.-Y. (2010). Acta Cryst. E66, m564.  [CSD] [CrossRef] [IUCr Journals]
Jacobson, R. (1998). REQAB. Molecular Structure Corporation, The Woodlands, Texas, USA.
Rigaku (2007). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Zhang, L.-P., Ma, J.-F., Yang, J., Pang, Y.-Y. & Ma, J.-C. (2010). Inorg. Chem. 49, 1535-1550.  [Web of Science] [CSD] [CrossRef] [ChemPort] [PubMed]
Zhong, K.-L. (2010). Acta Cryst. E66, m131.  [CSD] [CrossRef] [IUCr Journals]
Zhong, K.-L., Chen, L. & Chen, L. (2011). Acta Cryst. C67, m62-m64.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]
Zhu, Y.-M., Zhong, K.-L. & Lu, W.-J. (2006). Acta Cryst. E62, m2725-m2726.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]


Acta Cryst (2013). E69, m561  [ doi:10.1107/S160053681302610X ]

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