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Volume 69 
Part 4 
Page m222  
April 2013  

Received 24 January 2013
Accepted 13 March 2013
Online 20 March 2013

Key indicators
Single-crystal X-ray study
T = 173 K
Mean [sigma](C-C) = 0.009 Å
Disorder in solvent or counterion
R = 0.072
wR = 0.223
Data-to-parameter ratio = 12.1
Details
Open access

Bis{2,2'-[methylazanediylbis(methylene)]bis(4,6-dimethylphenolato)-[kappa]3O,N,O'}titanium(IV) toluene sesquisolvate

aDepartment of Chemistry, Chungbuk National University, Cheongju, Chungbuk 361-763, Republic of Korea
Correspondence e-mail: ykim@chungbuk.ac.kr

The title compound, [Ti(C19H23NO2)2]·1.5C7H8, crystallizes with one titanium complex molecule per asymmetric unit together with one and a half toluene molecules. The TiIV atom is coordinated by two fully deprotonated O,N,O'-tridentate phenoxyamine ligands in a distorted octahedral environment. Within this arrangement the O atoms occupy the equatorial sites and the N atoms the axial sites. One of the toluene molecules is disordered over two sets of sites in a 0.628 (18):0.372 (18) ratio.

Related literature

For other compounds of titanium with tri- and tetradentate ligands, see: Mun et al. (2010[Mun, S.-D., Kim, S. H., Lee, J., Kim, H.-J., Do, Y. & Kim, Y. (2010). Polyhedron, 29, 379-383.]); Chmura et al. (2006[Chmura, A. J. H., Davidson, M. G., Jones, M. D., Lunn, M. D. & Mahon, M. F. (2006). Dalton Trans. pp. 887-889.]); Hong et al. (2008[Hong, Y., Mun, S.-D., Lee, J., Do, Y. & Kim, Y. (2008). J. Organomet. Chem. 693, 1945-1951.]); Kim et al. (2009[Kim, S. H., Lee, J., Kim, D. J., Moon, J. H., Yoon, S. W., Oh, H. J., Ko, Y. S., Do, Y. & Kim, Y. (2009). J. Organomet. Chem. 694, 3409-3417.], 2011[Kim, J. H., Yoon, S., Mun, S.-D., Kim, S. H., Lee, J., Chung, Y., Kwon, S. H., Lee, K. S., Lee, C. & Kim, Y. (2011). J. Organomet. Chem. 696, 1729-1735.], 2012[Kim, S. H., Kim, D. J., Go, M. J., Ko, Y. S., Lee, J. & Kim, Y. (2012). Dalton Trans. 41, 11619-11626.]); Lee et al. (2007[Lee, J., Kim, Y. & Do, Y. (2007). Inorg. Chem. 46, 7701-7703.], 2008[Lee, J., Hong, Y., Kim, J. H., Kim, S. H., Do, Y., Shin, Y. K. & Kim, Y. (2008). J. Organomet. Chem. 693, 3715-3721.]).

[Scheme 1]

Experimental

Crystal data
  • [Ti(C19H23NO2)2]·1.5C7H8

  • Mr = 780.34

  • Triclinic, [P \overline 1]

  • a = 12.053 (2) Å

  • b = 13.374 (3) Å

  • c = 14.511 (3) Å

  • [alpha] = 102.02 (3)°

  • [beta] = 112.07 (3)°

  • [gamma] = 93.04 (3)°

  • V = 2097.8 (7) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 0.25 mm-1

  • T = 173 K

  • 0.50 × 0.25 × 0.14 mm

Data collection
  • Bruker SMART CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2004[Bruker (2004). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.83, Tmax = 0.96

  • 12545 measured reflections

  • 7019 independent reflections

  • 5111 reflections with I > 2[sigma](I)

  • Rint = 0.029

Refinement
  • R[F2 > 2[sigma](F2)] = 0.072

  • wR(F2) = 0.223

  • S = 1.02

  • 7019 reflections

  • 582 parameters

  • 6 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.76 e Å-3

  • [Delta][rho]min = -0.37 e Å-3

Data collection: SMART (Bruker, 2004[Bruker (2004). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2004[Bruker (2004). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; 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: ORTEP-3 for Windows (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]); software used to prepare material for publication: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BR2221 ).


Acknowledgements

This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MEST) (No. 2010-0023904).

References

Bruker (2004). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Chmura, A. J. H., Davidson, M. G., Jones, M. D., Lunn, M. D. & Mahon, M. F. (2006). Dalton Trans. pp. 887-889.  [CSD] [CrossRef]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [ISI] [CrossRef] [ChemPort] [details]
Hong, Y., Mun, S.-D., Lee, J., Do, Y. & Kim, Y. (2008). J. Organomet. Chem. 693, 1945-1951.  [CSD] [CrossRef] [ChemPort]
Kim, S. H., Kim, D. J., Go, M. J., Ko, Y. S., Lee, J. & Kim, Y. (2012). Dalton Trans. 41, 11619-11626.  [CSD] [CrossRef] [ChemPort] [PubMed]
Kim, S. H., Lee, J., Kim, D. J., Moon, J. H., Yoon, S. W., Oh, H. J., Ko, Y. S., Do, Y. & Kim, Y. (2009). J. Organomet. Chem. 694, 3409-3417.  [CSD] [CrossRef] [ChemPort]
Kim, J. H., Yoon, S., Mun, S.-D., Kim, S. H., Lee, J., Chung, Y., Kwon, S. H., Lee, K. S., Lee, C. & Kim, Y. (2011). J. Organomet. Chem. 696, 1729-1735.  [CSD] [CrossRef] [ChemPort]
Lee, J., Hong, Y., Kim, J. H., Kim, S. H., Do, Y., Shin, Y. K. & Kim, Y. (2008). J. Organomet. Chem. 693, 3715-3721.  [CSD] [CrossRef] [ChemPort]
Lee, J., Kim, Y. & Do, Y. (2007). Inorg. Chem. 46, 7701-7703.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Mun, S.-D., Kim, S. H., Lee, J., Kim, H.-J., Do, Y. & Kim, Y. (2010). Polyhedron, 29, 379-383.  [ISI] [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2013). E69, m222  [ doi:10.1107/S1600536813007022 ]

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