Bis­(μ-pyridine-2,3-dicarboxyl­ato)bis­[aqua­(3-carb­oxy­pyridine-2-carboxyl­ato)indium(III)] tetra­hydrate

Eshtiagh-Hosseini, H.; Mirzaei, M.; Mousavinezhad, A.; Necas, M.; Mague, J.T.

doi:10.1107/S1600536811053566

Volume 68
Part 1
Pages m71-m72
January 2012

Received 9 December 2011
Accepted 12 December 2011
Online 21 December 2011

Key indicators
Single-crystal X-ray study
T = 120 K
Mean (C-C) = 0.003 Å
R = 0.016
wR = 0.039
Data-to-parameter ratio = 13.3
Details

Bis(-pyridine-2,3-dicarboxylato)bis[aqua(3-carboxypyridine-2-carboxylato)indium(III)] tetrahydrate

H. Eshtiagh-Hosseini,^a M. Mirzaei,^a A. Mousavinezhad,^a M. Necas ^b and J. T. Mague ^c ^*

^aDepartment of Chemistry, Ferdowsi University of Mashhad, 917791436 Mashhad, Iran,^bDepartment of Chemistry, Faculty of Science, Masaryk University, Kamenice 5, Brno 625 00, Czech Republic, and ^cDepartment of Chemistry, Tulane University, New Orleans, LA 70118, USA
Correspondence e-mail: joelt@tulane.edu

In the binuclear centrosymmetric title compound, [In₂(C₇H₃NO₄)₂(C₇H₄NO₄)₂(H₂O)₂]·4H₂O, which contains both pyridine-2,3-dicarboxylate and 3-carboxypyridine-2-carboxylate ligands, the In^III atom is six-coordinated in a distorted octahedral geometry. One pyridine ligand is N,O-chelated while the other is N,O-chelated and at the same time bridging to the other via the second carboxyl group. In the crystal, an extensive O-HO hydrogen-bonding network, involving the coordinated and lattice water molecules and the carboxyl groups of the ligands, together with C-HO and [pi] - [pi] interactions [centroid-centroid distance = 3.793 (1) Å], leads to the formation of a three-dimensional structure.

Related literature

For metal complexes with polycarboxylate ligands, see: Aghabozorg, Daneshvar et al. (2007); Aghabozorg, Khadivi et al. (2008); Aghabozorg, Ramezanipour et al. (2006); Eshtiagh-Hosseini et al. (2010); Mirzaei et al. (2011). For examples of self-assembly, see: Kondo et al. (1999); Beobide et al. (2006). For a discussion of hard-soft acid base concepts, see: Schlemper et al. (1967). For examples of [pi] - [pi] stacking, see: Janiak (2000). For three-dimensional network structures, see: Krygowski et al. (1998).

Experimental

Crystal data

[In₂(C₇H₃NO₄)₂(C₇H₄NO₄)₂(H₂O)₂]·4H₂O
M_r = 1000.17
Triclinic, $[P \overline 1]$
a = 8.0166 (3) Å
b = 10.0890 (4) Å
c = 11.9838 (5) Å
= 110.069 (4)°
= 96.236 (3)°
= 109.076 (3)°
V = 833.36 (6) Å³
Z = 1
Mo K radiation
= 1.49 mm^-1
T = 120 K
0.40 × 0.30 × 0.30 mm

Data collection

Oxford Diffraction Xcalibur diffractometer with a Sapphire2 detector
Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2009 $[Oxford Diffraction (2009). CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, England.]$ ) T_min = 0.588, T_max = 0.664
10774 measured reflections
3373 independent reflections
3168 reflections with I > 2(I)
R_int = 0.013

Refinement

R[F² > 2(F²)] = 0.016
wR(F²) = 0.039
S = 1.10
3373 reflections
254 parameters
H-atom parameters constrained
_max = 0.38 e Å^-3
_min = -0.31 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O9-H91O11ⁱ	0.84	1.75	2.5938 (19)	178
O9-H92O3ⁱ	0.84	1.80	2.6402 (17)	175
O11-H112O7ⁱⁱ	0.84	1.95	2.7595 (18)	162
O10-H101O5ⁱⁱⁱ	0.84	1.97	2.8065 (18)	175
O10-H102O7^iv	0.84	1.88	2.7237 (19)	178
O4-H4OO10	0.84	1.67	2.5124 (17)	178
C4-H4O1^v	0.95	2.35	3.231 (2)	154
C5-H5O6^vi	0.95	2.36	3.293 (2)	168
C11-H11O3^vii	0.95	2.61	3.495 (2)	156
C12-H12O2^vii	0.95	2.33	2.993 (2)	126
Symmetry codes: (i) -x+1, -y+1, -z+1; (ii) x, y-1, z-1; (iii) x, y, z-1; (iv) -x+1, -y+2, -z+1; (v) x-1, y, z; (vi) -x+1, -y+2, -z+2; (vii) -x+2, -y+2, -z+1.

Data collection: CrysAlis CCD (Oxford Diffraction, 2009 $[Oxford Diffraction (2009). CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, England.]$ ); cell refinement: CrysAlis CCD; data reduction: CrysAlis RED (Oxford Diffraction, 2009 $[Oxford Diffraction (2009). CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, England.]$ ); 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: SU2349 ).

Acknowledgements

The authors wish to thank to the Ferdowsi University of Mashhad for financial support (grant No. P/2098).

References

Aghabozorg, H., Daneshvar, S., Motyeian, E., Ghadermazi, M. & Attar Gharamaleki, J. (2007). Acta Cryst. E63, m2468-m2469.
Aghabozorg, H., Khadivi, R., Ghadermazi, M., Pasdar, H. & Hooshmand, S. (2008). Acta Cryst. E64, m267-m268.
Aghabozorg, H., Ramezanipour, F., Kheirollahi, P., Saeia, A. A., Shokrollahi, A., Shamsipur, M., Manteghi, F., Soleimannejad, J. & Sharif, M. A. (2006). Z. Anorg. Allg. Chem. 632, 147-154.
Beobide, G., Castillo, O., Luque, A., García-Couceiro, U., García -Terán, J. P. & Román, P. (2006). Inorg. Chem. 45, 5367-5382.
Eshtiagh-Hosseini, H., Hassanpoor, A., Alfi, N., Mirzaei, M., Fromm, K. M., Shokrollahi, A., Gschwind, F. & Karami, E. (2010). J. Coord. Chem. 63, 3175-3186.
Janiak, C. (2000). J. Chem. Soc. Dalton Trans. pp. 3885-3896.
Kondo, M., Okubo, T., Asami, A., Noro, S. I., Yoshitomi, T., Kitagawa, S., Ishii, T., Matsuzaka, H. & Seki, K. (1999). Angew. Chem. Int. Ed. 38, 140-143.
Krygowski, T. M., Grabowski, S. J. & Konarski, J. (1998). Tetrahedron, 54, 11311-11316.
Mirzaei, M., Aghabozorg, H. & Eshtiagh-Hosseini, H. (2011). J. Iran. Chem. Soc. 8, 580-607.
Oxford Diffraction (2009). CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, England.
Schlemper, E. O. (1967). Inorg. Chem. 6, 2012-2017.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds