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Volume 64 
Part 5 
Pages m670-m671  
May 2008  

Received 8 April 2008
Accepted 10 April 2008
Online 16 April 2008


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Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.003 Å
R = 0.039
wR = 0.096
Data-to-parameter ratio = 21.2
Details

Chlorido{5,5'-dimethoxy-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-[kappa]4O,N,N',O'}manganese(III)

Naser Eltaher Eltayeb,a+ Siang Guan Teoh,a Suchada Chantrapromma,b++ Hoong-Kun Func* and Rohana Adnana

aSchool of Chemical Science, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia,bDepartment of Chemistry, Faculty of Science, Prince of Songkla University, Hat-Yai, Songkhla 90112, Thailand, and cX-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia
Correspondence e-mail: hkfun@usm.my

In the title complex, [Mn(C22H18N2O4)Cl], the MnIII centre is in a distorted square-pyramidal configuration, with the basal plane formed by the N2O2 donors of the tetradentate Schiff base dianion; the two phenolate O atoms and the two imine N atoms are each mutually cis. The chloride ion occupies the apical position. The dihedral angle between the two outer phenolate rings of the tetradentate Schiff base ligand is 16.44 (9)°. The central benzene ring makes dihedral angles of 10.64 (9) and 25.17 (10)° with the two outer phenolate rings. In the crystal structure, weak C-H...O and C-H...Cl interactions link the molecules into wave-like face-to-face double layers along the c direction. A [pi]-[pi] interaction involving the two outer phenolate rings is observed, the centroid-centroid distance being 3.743 (11) Å.

Related literature

For values of bond lengths, see: Allen et al. (1987[Allen, F. H., Kennard, O., Watson, D. G., Brammer, L., Orpen, A. G. & Taylor, R. (1987). J. Chem. Soc. Perkin Trans. 2, pp. S1-19.]). For details of ring conformations, see: Cremer & Pople (1975[Cremer, D. & Pople, J. A. (1975). J. Am. Chem. Soc. 97, 1354-1358.]). For related structures, see, for example: Eltayeb et al. (2008a[Eltayeb, N. E., Teoh, S. G., Chantrapromma, S., Fun, H.-K. & Adnan, R. (2008a). Acta Cryst. E64, m535-m536.],b[Eltayeb, N. E., Teoh, S. G., Chantrapromma, S., Fun, H.-K. & Adnan, R. (2008b). Acta Cryst. E64, m570-m571.]); Habibi et al. (2007[Habibi, M. H., Askari, E., Chantrapromma, S. & Fun, H.-K. (2007). Acta Cryst. E63, m2905-m2906.]); Mitra et al. (2006[Mitra, K., Biswas, S., Lucas, C. R. & Adhikary, B. (2006). Inorg. Chim. Acta, 359, 1997-2003.]). For the background to applications of manganese complexes, see, for example: Dixit & Srinivasan (1988[Dixit, P. S. & Srinivasan, K. (1988). Inorg. Chem. 27, 4507-4509.]); Glatzel et al. (2004[Glatzel, P., Bergmann, U., Yano, J., Visser, H., Robblee, J. H., Gu, W., de Groot, F. M. F., Christou, G., Pecoraro, V. L., Cramer, S. P. & Yachandra, V. K. (2004). J. Am. Chem. Soc. 126, 9946-9959.]); Lu et al. (2006[Lu, Z., Yuan, M., Pan, F., Gao, S., Zhang, D. & Zhu, D. (2006). Inorg. Chem. 45, 3538-3548.]).

[Scheme 1]

Experimental

Crystal data

  • [Mn(C22H18N2O4)Cl]

  • Mr = 464.77

  • Orthorhombic, P b c a

  • a = 13.7282 (2) Å

  • b = 15.0250 (2) Å

  • c = 19.2094 (3) Å

  • V = 3962.25 (10) Å3

  • Z = 8

  • Mo K[alpha] radiation

  • [mu] = 0.83 mm-1

  • T = 296 (2) K

  • 0.44 × 0.42 × 0.11 mm
Data collection

  • Bruker SMART APEXII CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2005[Bruker (2005). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.708, Tmax = 0.915

  • 28689 measured reflections

  • 5780 independent reflections

  • 4072 reflections with I > 2[sigma](I)

  • Rint = 0.032
Refinement

  • R[F2 > 2[sigma](F2)] = 0.038

  • wR(F2) = 0.095

  • S = 1.05

  • 5780 reflections

  • 273 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.30 e Å-3

  • [Delta][rho]min = -0.34 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C7-H7A...Cl1i 0.93 2.81 3.7156 (19) 165
C21-H21A...O2ii 0.96 2.44 3.321 (2) 152
Symmetry codes: (i) [x-{\script{1\over 2}}, -y+{\script{1\over 2}}, -z+1]; (ii) [x-{\script{1\over 2}}, y, -z+{\script{1\over 2}}].

Data collection: APEX2 (Bruker, 2005[Bruker (2005). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: APEX2; data reduction: SAINT (Bruker, 2005[Bruker (2005). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); 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 and PLATON (Spek, 2003[Spek, A. L. (2003). J. Appl. Cryst. 36, 7-13.]).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: IS2286 ).

Acknowledgements

The authors thank the Malaysian Government, Ministry of Science, Technology and Innovation (MOSTI), and the Universiti Sains Malaysia for the E-Science Fund, RU research grant (Nos. PKIMIA/613308, PKIMIA/815002, 203/PKIMIA/671083) and facilities. The International University of Africa (Sudan) is acknowledged for providing study leave to NEE. The authors also thank Universiti Sains Malaysia for the Fundamental Research Grant Scheme (FRGS) (grant No. 203/PFIZIK/671064).

References

Allen, F. H., Kennard, O., Watson, D. G., Brammer, L., Orpen, A. G. & Taylor, R. (1987). J. Chem. Soc. Perkin Trans. 2, pp. S1-19.
Bruker (2005). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Cremer, D. & Pople, J. A. (1975). J. Am. Chem. Soc. 97, 1354-1358.  [CrossRef] [ChemPort]
Dixit, P. S. & Srinivasan, K. (1988). Inorg. Chem. 27, 4507-4509.  [CrossRef] [ChemPort]
Eltayeb, N. E., Teoh, S. G., Chantrapromma, S., Fun, H.-K. & Adnan, R. (2008a). Acta Cryst. E64, m535-m536.  [CrossRef] [details]
Eltayeb, N. E., Teoh, S. G., Chantrapromma, S., Fun, H.-K. & Adnan, R. (2008b). Acta Cryst. E64, m570-m571.  [CrossRef] [details]
Glatzel, P., Bergmann, U., Yano, J., Visser, H., Robblee, J. H., Gu, W., de Groot, F. M. F., Christou, G., Pecoraro, V. L., Cramer, S. P. & Yachandra, V. K. (2004). J. Am. Chem. Soc. 126, 9946-9959.  [CrossRef] [PubMed] [ChemPort]
Habibi, M. H., Askari, E., Chantrapromma, S. & Fun, H.-K. (2007). Acta Cryst. E63, m2905-m2906.  [CrossRef] [details]
Lu, Z., Yuan, M., Pan, F., Gao, S., Zhang, D. & Zhu, D. (2006). Inorg. Chem. 45, 3538-3548.  [CrossRef] [PubMed]
Mitra, K., Biswas, S., Lucas, C. R. & Adhikary, B. (2006). Inorg. Chim. Acta, 359, 1997-2003.  [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Spek, A. L. (2003). J. Appl. Cryst. 36, 7-13.  [CrossRef] [ChemPort] [details]

Acta Cryst (2008). E64, m670-m671   [ doi:10.1107/S1600536808009835 ]

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