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Volume 68 
Part 12 
Pages m1442-m1443  
December 2012  

Received 25 September 2012
Accepted 29 October 2012
Online 3 October 2012

Key indicators
Single-crystal X-ray study
T = 100 K
Mean [sigma](C-C) = 0.003 Å
R = 0.041
wR = 0.102
Data-to-parameter ratio = 17.8
Details
Open access

trans-Bis(1,3-diphenylpropane-1,3-dionato)(methanol)oxidovanadium(IV) methanol disolvate

aDepartment of Chemistry, University of the Free State, PO Box 339, Bloemfontein 9300, South Africa
Correspondence e-mail: CPretorius@ufs.ac.za

In the title compound, [V(C15H11O2)2O(CH3OH)]·2CH3OH, the VIV atom is coordinated by two 1,3-diphenylpropane-1,3-dionate ligands and an oxide ligand in an axial position. The sixth position is occupied by the O atom of a methanol group bonded trans to the oxide atom. The octahedral geometry is significantly distorted, with the VIV atom lying 0.330 (3) Å above the equatorial plane formed by the O atoms of the two [beta]-diketonate ligands. In the crystal, O-H...O hydrogen bonds between the coordinating methanol group in the complex and the two methanol solvent molecules lead to the formation of polymeric chains along the c-axis direction. Weak C-H...O contacts are also observed.

Related literature

For synthetic background, see: Schilde et al. (1995[Schilde, U., Bannse, W., Ludwig, E. & Uhlemann, E. (1995). Z. Kristallogr. 210, 627-628.]). For other methanol-substituted vanadium complexes, see: Gao et al. (1998[Gao, S., Weng, Z. & Liu, S. (1998). Polyhedron, 17, 3595-3606.]); Chen et al. (2004[Chen, C. T., Lin, J. S., Kuo, J. H., Weng, S. S., Cuo, T. S., Lin, Y. W., Cheng, C. C., Huang, Y. C., Yu, J. K. & Chou, P. T. (2004). Org. Lett. 6, 4471-4474.]); Tasiopoulos et al. (1999[Tasiopoulos, A. J., Troganis, A. N., Evangelou, A., Raptopoulou, C. P., Terzis, A., Deligiannakis, Y. & Kabanos, T. A. (1999). Chem. Eur. J. 5, 910-921.]). For methoxy-substituted vanadium complexes, see: Bansse et al. (1992[Bansse, W., Ludwig, E., Uhlemann, E., Weller, F., Dehnicke, K. & Herrmann, W. (1992). Z. Anorg. Allg. Chem. 613, 36-44.]).

[Scheme 1]

Experimental

Crystal data
  • [V(C15H11O2)2O(CH4O)]·2CH4O

  • Mr = 609.54

  • Monoclinic, P 21 /c

  • a = 16.1411 (1) Å

  • b = 10.7450 (6) Å

  • c = 18.5378 (13) Å

  • [beta] = 113.579 (2)°

  • V = 2946.7 (3) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.39 mm-1

  • T = 100 K

  • 0.47 × 0.07 × 0.05 mm

Data collection
  • Bruker APEXII KappaCCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2008[Bruker (2008). SAINT-Plus and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.968, Tmax = 0.981

  • 38614 measured reflections

  • 7317 independent reflections

  • 5545 reflections with I > 2[sigma](I)

  • Rint = 0.046

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

  • wR(F2) = 0.102

  • S = 1.03

  • 7317 reflections

  • 412 parameters

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

  • [Delta][rho]max = 0.45 e Å-3

  • [Delta][rho]min = -0.43 e Å-3

Table 1
Selected bond lengths (Å)

O1-V1 1.5965 (13)
O2-V1 1.9972 (12)
O3-V1 2.0045 (12)
O4-V1 1.9847 (12)
O5-V1 1.9935 (12)
O6-V1 2.3020 (15)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O6-H6A...O7 0.82 (3) 1.83 (3) 2.644 (2) 169 (3)
O7-H7A...O8i 0.87 (3) 1.90 (3) 2.749 (2) 168 (3)
O8-H8A...O3 0.90 (3) 1.96 (3) 2.853 (2) 178 (3)
C13-H13...O1ii 0.95 2.58 3.487 (2) 160
C32-H32B...O1i 0.98 (3) 2.43 (3) 3.360 (3) 159 (2)
Symmetry codes: (i) [x, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]; (ii) [-x+1, y-{\script{1\over 2}}, -z+{\script{1\over 2}}].

Data collection: APEX2 (Bruker, 2011[Bruker (2011). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT-Plus (Bruker, 2008[Bruker (2008). SAINT-Plus and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT-Plus; 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: Mercury (Macrae et al., 2008[Macrae, C. F., Bruno, I. J., Chisholm, J. A., Edgington, P. R., McCabe, P., Pidcock, E., Rodriguez-Monge, L., Taylor, R., van de Streek, J. & Wood, P. A. (2008). J. Appl. Cryst. 41, 466-470.]); software used to prepare material for publication: WinGX (Farrugia, 1999[Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.]), publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]), PARST (Nardelli, 1995[Nardelli, M. (1995). J. Appl. Cryst. 28, 659.]) and PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SJ5267 ).


Acknowledgements

Financial assistance from the University of the Free State Strategic Academic Cluster Initiative (Materials and Nanosciences), SASOL and the South African National Research Foundation (SA-NRF/THRIP) is gratefully acknowledged.

References

Bansse, W., Ludwig, E., Uhlemann, E., Weller, F., Dehnicke, K. & Herrmann, W. (1992). Z. Anorg. Allg. Chem. 613, 36-44.  [CrossRef] [ChemPort]
Bruker (2008). SAINT-Plus and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2011). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.
Chen, C. T., Lin, J. S., Kuo, J. H., Weng, S. S., Cuo, T. S., Lin, Y. W., Cheng, C. C., Huang, Y. C., Yu, J. K. & Chou, P. T. (2004). Org. Lett. 6, 4471-4474.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.  [CrossRef] [ChemPort] [details]
Gao, S., Weng, Z. & Liu, S. (1998). Polyhedron, 17, 3595-3606.  [ISI] [CrossRef] [ChemPort]
Macrae, C. F., Bruno, I. J., Chisholm, J. A., Edgington, P. R., McCabe, P., Pidcock, E., Rodriguez-Monge, L., Taylor, R., van de Streek, J. & Wood, P. A. (2008). J. Appl. Cryst. 41, 466-470.  [ISI] [CrossRef] [ChemPort] [details]
Nardelli, M. (1995). J. Appl. Cryst. 28, 659.  [CrossRef] [details]
Schilde, U., Bannse, W., Ludwig, E. & Uhlemann, E. (1995). Z. Kristallogr. 210, 627-628.  [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [ISI] [CrossRef] [details]
Tasiopoulos, A. J., Troganis, A. N., Evangelou, A., Raptopoulou, C. P., Terzis, A., Deligiannakis, Y. & Kabanos, T. A. (1999). Chem. Eur. J. 5, 910-921.  [CrossRef] [ChemPort]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [ISI] [CrossRef] [ChemPort] [details]


Acta Cryst (2012). E68, m1442-m1443   [ doi:10.1107/S1600536812044686 ]

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