Aqua­{6,6′-dimeth­oxy-2,2′-[ethane-1,2-diylbis(nitrilo­methyl­idyne)]diphenolato}(4-hydroxy­benzoato)manganese(III)

Reshma, R.; Soumya, P.V.; Simi, S.M.; Thampidas, V.S.; Pike, R.D.

doi:10.1107/S1600536809032553

Volume 65
Part 9
Pages m1110-m1111
September 2009

Received 12 August 2009
Accepted 17 August 2009
Online 22 August 2009

Key indicators
Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.003 Å
R = 0.029
wR = 0.082
Data-to-parameter ratio = 12.9
Details

Aqua{6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}(4-hydroxybenzoato)manganese(III)

R. Reshma,^a P. V. Soumya,^a S. M. Simi,^a V. S. Thampidas ^a ^* and Robert D. Pike ^b

^aDepartment of Chemistry, SN College, Varkala, Kerala 695 145, India, and ^bDepartment of Chemistry, College of William and Mary, PO Box 8795, Williamsburg, VA 23187-8795, USA
Correspondence e-mail: dasthampi@hotmail.com

The title compound, [Mn(C₁₈H₁₈N₂O₄)(C₇H₅O₃)(H₂O)], was synthesized by a template reaction of ethane-1,2-diamine and 3-methoxysalicylaldehyde in presence of manganese(II) 4-hydroxybenzoate. The Jahn-Teller-distorted manganese(III) centre has an octahedral geometry. Extensive O-HO hydrogen-bonding interactions generate a two-dimensional sheet structure parallel to (103).

Related literature

For background to the coordination chemistry of manganese, see: Christou (2005); Yocum & Pecoraro (1999); McEvoy & Brudvig (2006); Pecoraro (1992). For the structures of manganese complexes containing Schiff base and carboxylate ligands, see: Bermejo et al. (2006); Hulme et al. (1997); Zhang & Janiak (2001).

Experimental

Crystal data

[Mn(C₁₈H₁₈N₂O₄)(C₇H₅O₃)(H₂O)]
M_r = 536.41
Monoclinic, P 2₁ /c
a = 8.5988 (3) Å
b = 13.5524 (5) Å
c = 21.1335 (8) Å
= 93.280 (2)°
V = 2458.75 (16) Å³
Z = 4
Cu K radiation
= 4.82 mm^-1
T = 100 K
0.43 × 0.38 × 0.24 mm

Data collection

Bruker SMART APEXII CCD diffractometer
Absorption correction: numerical (SADABS; Sheldrick, 2004) T_min = 0.229, T_max = 0.388
26252 measured reflections
4259 independent reflections
3766 reflections with I > 2(I)
R_int = 0.033

Refinement

R[F² > 2(F²)] = 0.029
wR(F²) = 0.082
S = 1.04
4259 reflections
329 parameters
H-atom parameters constrained
_max = 0.17 e Å^-3
_min = -0.31 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O8-H8O5ⁱ	0.84	1.79	2.599 (2)	161
O3-H2WO7ⁱⁱ	0.84	2.32	3.0025 (19)	139
O3-H2WO2ⁱⁱ	0.84	2.11	2.8711 (17)	150
O3-H1WO6ⁱⁱ	0.84	2.29	3.000 (2)	142
O3-H1WO1ⁱⁱ	0.84	2.21	2.9475 (18)	147
Symmetry codes: (i) $[-x+1, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (ii) -x, -y+1, -z+1.

Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT-Plus (Bruker, 2004); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997) and Mercury (Macrae et al., 2006); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BT5032 ).

Acknowledgements

We acknowledge the generosity of the Principal of SN College, Varkala, Kerala, for providing the facilities of the college for this research. We also acknowledge the NSF (CHE-0443345) and the College of William and Mary for the purchase of the X-ray equipment.

References

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Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Yocum, C. F. & Pecoraro, V. L. (1999). Curr. Opin. Chem. Biol. 3, 182-187.
Zhang, C. & Janiak, C. (2001). Acta Cryst. C57, 719-720.

metal-organic compounds