[Journal logo]

Volume 69 
Part 9 
Pages m506-m507  
September 2013  

Received 14 August 2013
Accepted 15 August 2013
Online 21 August 2013

Key indicators
Single-crystal X-ray study
T = 223 K
Mean [sigma](C-C) = 0.004 Å
Disorder in solvent or counterion
R = 0.034
wR = 0.084
Data-to-parameter ratio = 13.6
Details
Open access

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

aDepartment of Applied Chemistry, Nanjing College of Chemical Technology, Nanjing, 210048, People's Republic of China, and bAVIC Hefei Jianghang Aircraft Equipment Corporation Ltd, Hefei, 230051, People's Republic of China
Correspondence e-mail: zklong76@163.com

In the title compound, [Ni(SO4)(C12H8N2)2]·C3H8O2, the NiII atom exhibits a distorted octahedral coordination by four N atoms from two chelating 1,10-phenanthroline ligands and two O atoms from an O,O'-bidentate sulfate group. A twofold rotation axis passes through the Ni and S atoms and the mid-point of the hydroxyl C-C bond of the propane-1,2-diol solvent molecule. The dihedral angle between the two chelating N2C2 groups is 85.61 (8)°. The [NiSO4(C10H8N2)2] and propane-1,2-diol units are held together by a pair of symmetry-related intermolecular O-H...O hydrogen bonds involving the uncoordinating O atoms of the sulfate ion. Due to symmetry, the solvent molecule is equally disordered over two positions.

Related literature

For the ethane-1,2-diol solvate of the title complex, see: Zhong et al. (2009[Zhong, K.-L., Ni, C. & Wang, J.-M. (2009). Acta Cryst. E65, m911.]). For the propane-1,3-diol solvate of the title complex, see: Ni et al. (2010[Ni, C., Zhong, K.-L. & Cui, J.-D. (2010). Acta Cryst. E66, m746-m747.]). For the butane-2,3-diol solvate of the title complex, see: Zhong & Ni (2012[Zhong, K.-L. & Ni, C. (2012). Acta Cryst. E68, m1519.]). For an isotypic compound, see: Zhong (2013[Zhong, K.-L. (2013). Acta Cryst. E69, m26.]). For background to coordination polymers, 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 et al. (2011[Zhong, K.-L., Chen, L. & Chen, L. (2011). Acta Cryst. C67, m62-m64.]).

[Scheme 1]

Experimental

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

  • Mr = 591.27

  • Monoclinic, C 2/c

  • a = 18.0277 (10) Å

  • b = 13.0448 (5) Å

  • c = 12.8070 (5) Å

  • [beta] = 121.738 (5)°

  • V = 2561.4 (2) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.89 mm-1

  • T = 223 K

  • 0.30 × 0.25 × 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 = 0.876, Tmax = 1.000

  • 7993 measured reflections

  • 2602 independent reflections

  • 2311 reflections with I > 2[sigma](I)

  • Rint = 0.031

Refinement
  • R[F2 > 2[sigma](F2)] = 0.034

  • wR(F2) = 0.084

  • S = 1.01

  • 2602 reflections

  • 191 parameters

  • 26 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.32 e Å-3

  • [Delta][rho]min = -0.42 e Å-3

Table 1
Selected bond lengths (Å)

Ni1-N1 2.0762 (19)
Ni1-N2 2.082 (2)
Ni1-O1 2.1074 (16)
S1-O2 1.4587 (17)
S1-O1 1.4942 (16)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O3-H3B...O2 0.82 1.97 2.705 (6) 148
O3'-H3'A...O2 0.82 2.00 2.767 (8) 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: ZQ2207 ).


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.
Jacobson, R. (1998). REQAB. Molecular Structure Corporation, The Woodlands, Texas, USA.
Ni, C., Zhong, K.-L. & Cui, J.-D. (2010). Acta Cryst. E66, m746-m747.  [CSD] [CrossRef] [ChemPort] [details]
Rigaku (2007). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [details]
Zhang, L.-P., Ma, J.-F., Yang, J., Pang, Y.-Y. & Ma, J.-C. (2010). Inorg. Chem. 49, 1535-1550.  [ISI] [CSD] [CrossRef] [ChemPort] [PubMed]
Zhong, K.-L. (2013). Acta Cryst. E69, m26.  [CSD] [CrossRef] [details]
Zhong, K.-L., Chen, L. & Chen, L. (2011). Acta Cryst. C67, m62-m64.  [CSD] [CrossRef] [ChemPort] [details]
Zhong, K.-L. & Ni, C. (2012). Acta Cryst. E68, m1519.  [CSD] [CrossRef] [details]
Zhong, K.-L., Ni, C. & Wang, J.-M. (2009). Acta Cryst. E65, m911.  [CSD] [CrossRef] [details]


Acta Cryst (2013). E69, m506-m507   [ doi:10.1107/S1600536813023027 ]

This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.