The cocrystal aqua­chlorido{6,6′-di-tert-butyl-2,2′-[1,2-phenyl­enebis(nitrilo­methyl­idyne)]diphenolato-κ4O,N,N′,O′}­manganese(III)–chlorido{6,6′-di-tert-butyl-2,2′-[1,2-phenyl­enebis(nitrilo­methyl­idyne)]diphenolato-κ4O,N,N′,O′}(methanol-κO)manganese(III) (1/1)

Eltayeb, N.E.; Teoh, S.G.; Chantrapromma, S.; Fun, H.-K.; Adnan, R.

doi:10.1107/S1600536808006818

Volume 64
Part 5
Pages m626-m627
May 2008

Received 9 March 2008
Accepted 11 March 2008
Online 4 April 2008

Key indicators
Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.006 Å
R = 0.057
wR = 0.147
Data-to-parameter ratio = 15.5
Details

The cocrystal aquachlorido{6,6'-di-tert-butyl-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-⁴O,N,N',O'}manganese(III)-chlorido{6,6'-di-tert-butyl-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-⁴O,N,N',O'}(methanol-O)manganese(III) (1/1)

Naser Eltaher Eltayeb,^a ⁺ Siang Guan Teoh,^a Suchada Chantrapromma,^b ⁺⁺ Hoong-Kun Fun ^c ^* and Rohana Adnan ^a

^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

The asymmetric unit of the title complex, [Mn(C₂₈H₃₀N₂O₂)Cl(H₂O)][Mn(C₂₈H₃₀N₂O₂)Cl(CH₃OH)], contains two discrete Mn^III complexes of a Schiff base ligand, with an N₂O₂ donor set. Both Mn^III centers are in a distorted octahedral geometry with the N₂O₂ donor atoms of the tetradentate Schiff base dianion in the equatorial plane. The axial positions in the coordination environment of one Mn^III complex are occupied by a chloride ion and a water molecule, but a methanol molecule replaces the water molecule in the other complex. The coordinated water molecule takes part in an O-HCl hydrogen bond between the two Mn^III complexes. In the crystal structure, O-HCl hydrogen bonds link the molecules into infinite one-dimensional chains along the [100] direction. The crystal structure is stabilized by O-HCl hydrogen bonds together with weak C-HO and C-HCl interactions. A C-H [pi] interaction is also observed in the crystal structure.

Related literature

For bond-length data, see: Allen et al. (1987). For related structures, see for example: Eltayeb et al. (2007, 2008); Habibi et al. (2007); Mitra et al. (2006). For background to applications of manganese complexes, see for example: Dixit & Srinivasan (1988); Glatzel et al. (2004); Lu et al. (2006); Stallings et al. (1985).

Experimental

Crystal data

[Mn(C₂₈H₃₀N₂O₂)Cl(H₂O)][Mn(C₂₈H₃₀N₂O₂)Cl(CH₄O)]
M_r = 1083.92
Triclinic, $[P \overline 1]$
a = 13.1080 (3) Å
b = 13.8794 (3) Å
c = 14.6085 (3) Å
= 95.177 (1)°
= 99.996 (1)°
= 95.639 (1)°
V = 2589.08 (10) Å³
Z = 2
Mo K radiation
= 0.65 mm^-1
T = 100.0 (1) K
0.38 × 0.33 × 0.03 mm

Data collection

Bruker SMART APEX2 CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2005) T_min = 0.791, T_max = 0.981
37620 measured reflections
10108 independent reflections
6163 reflections with I > 2(I)
R_int = 0.076

Refinement

R[F² > 2(F²)] = 0.057
wR(F²) = 0.147
S = 1.03
10108 reflections
653 parameters
H-atom parameters constrained
_max = 0.56 e Å^-3
_min = -0.52 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O1WA-H2WACl1B	0.85	2.28	3.113 (3)	167
O3B-H1O3Cl1Aⁱ	1.00	2.06	3.026 (3)	163
C5A-H5AAO1WAⁱⁱ	0.93	2.55	3.463 (5)	169
C4B-H4BACl1Aⁱⁱ	0.93	2.79	3.528 (4)	137
C12B-H12BCl1Aⁱⁱⁱ	0.93	2.73	3.646 (4)	170
C23A-H23CO1A	0.96	2.34	2.984 (6)	124
C23B-H23EO1B	0.96	2.35	2.983 (5)	123
C24A-H24CO1A	0.96	2.34	2.975 (5)	123
C24B-H24EO1B	0.96	2.36	3.010 (5)	124
C26A-H26AO2A	0.96	2.45	3.041 (5)	119
C26B-H26EO2B	0.96	2.35	2.998 (5)	124
C28A-H28AO2A	0.96	2.34	2.977 (5)	124
C28B-H28FO2B	0.96	2.34	2.968 (5)	122
C14B-H14BCg1^iv	0.93	3.23	3.690 (4)	113
Symmetry codes: (i) x+1, y, z; (ii) -x+1, -y+1, -z; (iii) -x+1, -y, -z; (iv) -x+2, -y, -z. Cg1 is the centroid of the C8B-C13B benzene ring.

Data collection: APEX2 (Bruker, 2005); cell refinement: APEX2; data reduction: SAINT (Bruker, 2005); 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 and PLATON (Spek, 2003).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SJ2472 ).

Acknowledgements

The authors thank the Malaysian Government, Ministry of Science, Technology and Innovation (MOSTI) and Universiti Sains Malaysia for the E-Science Fund research grant (PKIMIA/613308) 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

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