(4-Carb­oxy-2-sulfonato­benzoato-κ2O1,O2)bis­(1,10-phenanthroline-κ2N,N′)manganese(II)

Wu, Q.-F.; Li, M.-X.

doi:10.1107/S1600536810023743

Volume 66
Part 7
Pages m849-m850
July 2010

Received 11 June 2010
Accepted 19 June 2010
Online 26 June 2010

Key indicators
Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.004 Å
R = 0.039
wR = 0.109
Data-to-parameter ratio = 12.0
Details

(4-Carboxy-2-sulfonatobenzoato-²O¹,O²)bis(1,10-phenanthroline-²N,N')manganese(II)

Qiong-Fang Wu ^a and Ming-Xing Li ^a ^*

^aDepartment of Chemistry, College of Science, Shanghai University, Shanghai 200444, People's Republic of China
Correspondence e-mail: mx_li@mail.shu.edu.cn

In the title complex, [Mn(C₈H₄O₇S)(C₁₂H₈N₂)₂], the Mn^II atom is chelated by one 4-carboxy-2-sulfonatobenzoate anion and two phenathroline (phen) ligands in a distorted octahedral MnN₄O₂ geometry. The benzene ring of the 4-carboxy-2-sulfonatobenzoate anion is twisted with respect to the two phen ring systems at dihedral angles of 66.38 (9) and 53.56 (9)°. In the crystal, intermolecular O-HO and C-HO hydrogen bonding links the molecules into chains running parallel to [100]. Intermolecular [pi] - [pi] stacking is also observed between parallel phen ring systems, the face-to-face distance being 3.432 (6) Å.

Related literature

The 4-carboxy-2-sulfonatobenzoate anion has been used to construct coordination polymers through both carboxyl and sulfonate groups, see: Horike et al. (2006); Xiao et al. (2007).

Experimental

Crystal data

[Mn(C₈H₄O₇S)(C₁₂H₈N₂)₂]
M_r = 659.52
Triclinic, $[P \overline 1]$
a = 9.490 (2) Å
b = 9.688 (2) Å
c = 16.842 (4) Å
= 73.294 (4)°
= 89.016 (4)°
= 70.159 (3)°
V = 1389.6 (5) Å³
Z = 2
Mo K radiation
= 0.61 mm^-1
T = 298 K
0.35 × 0.22 × 0.18 mm

Data collection

Bruker SMART APEXII CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2001) T_min = 0.815, T_max = 0.898
6937 measured reflections
4883 independent reflections
4344 reflections with I > 2(I)
R_int = 0.017

Refinement

R[F² > 2(F²)] = 0.039
wR(F²) = 0.109
S = 1.07
4883 reflections
407 parameters
1 restraint
H-atom parameters constrained
_max = 0.47 e Å^-3
_min = -0.57 e Å^-3

Table 1
Selected bond lengths (Å)

Mn1-O1	2.0769 (15)
Mn1-O3	2.1878 (15)
Mn1-N1	2.2824 (17)
Mn1-N2	2.3321 (18)
Mn1-N3	2.2592 (17)
Mn1-N4	2.2458 (18)

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O7-H7O2ⁱ	0.82	1.72	2.517 (3)	165
C8-H8O6ⁱⁱ	0.93	2.42	3.209 (4)	142
C18-H18O5ⁱⁱⁱ	0.93	2.46	3.306 (3)	151
Symmetry codes: (i) x-1, y, z; (ii) x+1, y+1, z; (iii) -x+1, -y+2, -z+1.

Data collection: APEX2 (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: XU2781 ).

Acknowledgements

This work was supported by the Leading Academic Discipline Project of Shanghai Municipal Education Commission (J50102), the Excellent Youth Teachers Foundation of Shanghai Municipal Education Commission and the Innovation Foundation of Shanghai University, China.

References

Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.
Horike, S., Matsuda, R., Tanaka, D., Matsubara, S., Mizuno, M., Endo, K. & Kitagawa, S. (2006). J. Am. Chem. Soc. 128, 4222-4223.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Xiao, H.-P., Zheng, Y.-X., Liang, X.-Q., Zuo, J.-L. & You, X.-Z. (2007). J. Mol. Struct. 888, 55-61.

metal-organic compounds

(4-Carboxy-2-sulfonatobenzoato-2O1,O2)bis(1,10-phenanthroline-2N,N')manganese(II)