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Volume 68 
Part 11 
Pages m1385-m1386  
November 2012  

Received 7 October 2012
Accepted 11 October 2012
Online 20 October 2012

Key indicators
Single-crystal X-ray study
T = 173 K
Mean [sigma](C-C) = 0.002 Å
R = 0.036
wR = 0.094
Data-to-parameter ratio = 12.0
Details
Open access

6-Benzyl-2-methyl-1,3-bis(pentafluorophenyl)-1,3,6,2-triazaalumocane

aDepartment of Chemistry, M.V. Lomonosov Moscow State University, Leninskie Gory 1/3, Moscow 119991, Russian Federation, and bInstitute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskii prosp. 31, Moscow 119991, Russian Federation
Correspondence e-mail: churakov@igic.ras.ru

In the title compound, [Al(CH3)(C23H15F10N3)], the AlIII atom is coordinated in a distorted tetrahedral geometry by three N atoms from the tridentate amine and by one C atom of the methyl substituent. Further, there is a short intramolecular Al...F contact [2.5717 (11) Å], leading to an overall distorted trigonal-bipyramidal coordination environment around AlIII.

Related literature

For general background to the chemistry affording the tridentate ligand N-benzyl-N'-(pentafluorophenyl)-N-{2-[(pentafluorophenyl)amino]ethyl}ethane-1,2-diamine, see: Lermontova et al. (2009[Lermontova, E. Kh., Huang, M., Churakov, A. V., Howard, J. A. K., Zabalov, M. V., Karlov, S. S. & Zaitseva, G. S. (2009). Dalton Trans. pp. 4695-4702.]). Complexes of germanium and tin based on that and the related ligands and their X-ray structures have been described by Huang et al. (2011[Huang, M., Kireenko, M. M., Lermontova, E. Kh., Churakov, A. V., Oprunenko, Y. F., Zaitsev, K. V., Karlov, S. S. & Zaitseva, G. S. (2011). Butlerov Commun. 24, 26-38.], 2012[Huang, M., Kireenko, M. M., Zaitsev, K. V., Oprunenko, Y. F., Churakov, A. V., Howard, J. A. K., Lermontova, E. K., Sorokin, D., Linder, T., Sundermeyer, J., Karlov, S. S. & Zaitseva, G. S. (2012). Eur. J. Inorg. Chem. pp. 3712-3724.]). For related structures having short Al...F-C contacts, see: Smith et al. (2010[Smith, J. C., Ma, K., Piers, W. E., Parvez, M. & McDonald, R. (2010). Dalton Trans. 39, 10256-10263.]); Jansen & Mokros (1992[Jansen, M. & Mokros, I. (1992). Z. Anorg. Allg. Chem. 612, 101-106.]). For a description of the Cambridge Structural Database, see: Allen (2002[Allen, F. H. (2002). Acta Cryst. B58, 380-388.]).

[Scheme 1]

Experimental

Crystal data
  • [Al(CH3)(C23H15F10N3)]

  • Mr = 565.39

  • Monoclinic, P 21 /c

  • a = 7.9530 (14) Å

  • b = 33.577 (6) Å

  • c = 8.7247 (15) Å

  • [beta] = 100.809 (2)°

  • V = 2288.5 (7) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.19 mm-1

  • T = 173 K

  • 0.20 × 0.20 × 0.05 mm

Data collection
  • Bruker SMART APEXII diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2008[Bruker (2008). APEX2, SADABS and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.963, Tmax = 0.991

  • 19211 measured reflections

  • 4972 independent reflections

  • 4317 reflections with I > 2[sigma](I)

  • Rint = 0.021

Refinement
  • R[F2 > 2[sigma](F2)] = 0.036

  • wR(F2) = 0.094

  • S = 1.02

  • 4972 reflections

  • 415 parameters

  • All H-atom parameters refined

  • [Delta][rho]max = 0.36 e Å-3

  • [Delta][rho]min = -0.26 e Å-3

Data collection: APEX2 (Bruker, 2008[Bruker (2008). APEX2, SADABS and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2008[Bruker (2008). APEX2, SADABS and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: IS5205 ).


Acknowledgements

This work was partially supported by RFBR (projects 12-03-90020-Bel_a, 12-03-00206 - a) and a grant from the President of the Russian Federation to support the research of young Russian scientists and doctors (MD-3634.2012.3).

References

Allen, F. H. (2002). Acta Cryst. B58, 380-388.  [ISI] [CrossRef] [details]
Bruker (2008). APEX2, SADABS and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Huang, M., Kireenko, M. M., Lermontova, E. Kh., Churakov, A. V., Oprunenko, Y. F., Zaitsev, K. V., Karlov, S. S. & Zaitseva, G. S. (2011). Butlerov Commun. 24, 26-38.
Huang, M., Kireenko, M. M., Zaitsev, K. V., Oprunenko, Y. F., Churakov, A. V., Howard, J. A. K., Lermontova, E. K., Sorokin, D., Linder, T., Sundermeyer, J., Karlov, S. S. & Zaitseva, G. S. (2012). Eur. J. Inorg. Chem. pp. 3712-3724.  [ISI] [CSD] [CrossRef]
Jansen, M. & Mokros, I. (1992). Z. Anorg. Allg. Chem. 612, 101-106.  [CrossRef] [ChemPort]
Lermontova, E. Kh., Huang, M., Churakov, A. V., Howard, J. A. K., Zabalov, M. V., Karlov, S. S. & Zaitseva, G. S. (2009). Dalton Trans. pp. 4695-4702.  [CSD] [CrossRef]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Smith, J. C., Ma, K., Piers, W. E., Parvez, M. & McDonald, R. (2010). Dalton Trans. 39, 10256-10263.  [CSD] [CrossRef] [ChemPort] [PubMed]


Acta Cryst (2012). E68, m1385-m1386   [ doi:10.1107/S1600536812042560 ]

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