{2,2′-[3-Aza­pentane-1,5-diylbis(nitrilo­methyl­idyne)]dipyrrol-1-yl}(4-methyl­pyridine)cobalt(III) tetra­phenyl­borate

Meghdadi, S.; Amirnasr, M.; Mereiter, K.; Karimi Abdolmaleki, M.

doi:10.1107/S1600536810006112

Volume 66
Part 3
Pages m332-m333
March 2010

Received 29 January 2010
Accepted 15 February 2010
Online 24 February 2010

Key indicators
Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.002 Å
R = 0.038
wR = 0.104
Data-to-parameter ratio = 22.8
Details

{2,2'-[3-Azapentane-1,5-diylbis(nitrilomethylidyne)]dipyrrol-1-yl}(4-methylpyridine)cobalt(III) tetraphenylborate

Soraia Meghdadi,^a Mehdi Amirnasr,^a ^* Kurt Mereiter ^b and Mahmood Karimi Abdolmaleki ^a

^aDepartment of Chemistry, Isfahan University of Technology, Isfahan 84156 83111, Iran, and ^bFaculty of Chemistry, Vienna University of Technology, Getreidemarkt 9/164SC, A 1060 Vienna, Austria
Correspondence e-mail: smeghdad@cc.iut.ac.ir

The title compound, [Co(C₁₄H₁₇N₅)(C₆H₇N)](C₂₄H₂₀B) or [Co{(pyrrole)₂dien}(4-Mepy)]BPh₄ where (pyrrole)₂dien is 2,2'-[(3-azapentane-1,5-diylbis(nitrilomethylidyne)]dipyrrole and 4-Mepy is 4-methylpyridine, contains a pentadentate (pyrrole)₂dien ligand furnishing an N₅ set, such that two of the pyrrole N atoms and two of the dien N atoms occupy the equatorial positions while one of the imine N atoms of the (pyrrole)₂dien ligand occupies the axial position. The 4-methylpyridine ligand occupies an axial position trans to one of the imine N atoms of the pentadentate ligand. In the observed conformation of the pentadentate ligand, the pyrrole rings attain asymmetrical positions owing to the structural demands. The geometry of the resulting CoN₆ coordination can be described as distorted octahedral.

Related literature

For general background to the applications of transition metal-Schiff base complexes, see: Nishinaga & Tomita (1980); Speiser & Stahl (1995); Miodragovic et al. (2006); Amirnasr et al. (2006); Morshedi et al. (2006); Meghdadi et al. (2007, 2008); Park et al. (1998); Mishra et al. (2008). For the synthesis of the ligand, see: Kwiatkowski et al. (1993). For related structures, see: Meghdadi et al. (2007, 2008).

Experimental

Crystal data

[Co(C₁₄H₁₇N₅)(C₆H₇N)](C₂₄H₂₀B)
M_r = 726.59
Monoclinic, P 2₁ /n
a = 11.0332 (16) Å
b = 19.559 (3) Å
c = 17.138 (3) Å
= 92.164 (2)°
V = 3695.7 (9) Å³
Z = 4
Mo K radiation
= 0.51 mm^-1
T = 100 K
0.52 × 0.46 × 0.35 mm

Data collection

Bruker SMART APEX CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2003) T_min = 0.71, T_max = 0.84
66110 measured reflections
10797 independent reflections
8767 reflections with I > 2(I)
R_int = 0.036

Refinement

R[F² > 2(F²)] = 0.038
wR(F²) = 0.104
S = 1.07
10797 reflections
474 parameters
H atoms treated by a mixture of independent and constrained refinement
_max = 0.57 e Å^-3
_min = -0.22 e Å^-3

Data collection: SMART (Bruker, 2003); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT and XPREP (Bruker, 2003); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL .

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: DN2536 ).

Acknowledgements

Partial support of this work by the Isfahan University of Technology Research Council is gratefully acknowledged.

References

Amirnasr, M., Schenk, K. J., Meghdadi, S. & Morshedi, M. (2006). Polyhedron, 25, 671-677.
Bruker (2003). SMART, SAINT, SADABS and XPREP. Bruker AXS Inc., Madison, Wisconsin, USA.
Kwiatkowski, E., Kwiatkowski, M., Olechnowicz, A. & Bandoli, G. (1993). J. Crystallogr. Spectrosc. Res. 23, 423-429.
Meghdadi, S., Daran, J.-C., Amirnasr, M. & Morshedi, M. (2007). Acta Cryst. E63, m982-m984.
Meghdadi, S., Schenk, K. J., Amirnasr, M. & Fadaee, F. (2008). Acta Cryst. E64, m479-m480.
Miodragovic, D. U., Bogdanovic, G. A., Miodragovic, Z. M., Radulovic, M. D., Novakovic, S. B., Kaluderovic, G. N. & Kozlowski, H. (2006). J. Inorg. Biochem. 100, 1568-1574.
Mishra, A., Kaushik, N. K., Verma, A. K. & Gupta, R. (2008). Eur. J. Med. Chem. 43, 2189-2196.
Morshedi, M., Meghdadi, S. & Schenk, K. J. (2006). Acta Cryst. C62, m87-m89.
Nishinaga, A. & Tomita, H. (1980). J. Mol. Catal. 7, 179-199.
Park, S., Mathur, V. K. & Planalp, R. P. (1998). Polyhedron, 17, 325-330.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Speiser, B. & Stahl, H. (1995). Angew. Chem. Int. Ed. 34, 1086-1089.

metal-organic compounds