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

Kireenko, M.M.; Zaitsev, K.V.; Churakov, A.V.; Zaitseva, G.S.; Karlov, S.S.

doi:10.1107/S1600536812042560

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 (C-C) = 0.002 Å
R = 0.036
wR = 0.094
Data-to-parameter ratio = 12.0
Details

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

Marina M. Kireenko,^a Kirill V. Zaitsev,^a Andrei V. Churakov,^b ^* Galina S. Zaitseva ^a and Sergey S. Karlov ^a

^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 Al^III 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 AlF contact [2.5717 (11) Å], leading to an overall distorted trigonal-bipyramidal coordination environment around Al^III.

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). 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, 2012). For related structures having short AlF-C contacts, see: Smith et al. (2010); Jansen & Mokros (1992). For a description of the Cambridge Structural Database, see: Allen (2002).

Experimental

Crystal data

[Al(CH₃)(C₂₃H₁₅F₁₀N₃)]
M_r = 565.39
Monoclinic, P 2₁ /c
a = 7.9530 (14) Å
b = 33.577 (6) Å
c = 8.7247 (15) Å
= 100.809 (2)°
V = 2288.5 (7) Å³
Z = 4
Mo K radiation
= 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) T_min = 0.963, T_max = 0.991
19211 measured reflections
4972 independent reflections
4317 reflections with I > 2(I)
R_int = 0.021

Refinement

R[F² > 2(F²)] = 0.036
wR(F²) = 0.094
S = 1.02
4972 reflections
415 parameters
All H-atom parameters refined
_max = 0.36 e Å^-3
_min = -0.26 e Å^-3

Data collection: APEX2 (Bruker, 2008); cell refinement: SAINT (Bruker, 2008); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008); 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.
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.
Jansen, M. & Mokros, I. (1992). Z. Anorg. Allg. Chem. 612, 101-106.
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.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Smith, J. C., Ma, K., Piers, W. E., Parvez, M. & McDonald, R. (2010). Dalton Trans. 39, 10256-10263.

metal-organic compounds