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Volume 69 
Part 2 
Page m124  
February 2013  

Received 15 November 2012
Accepted 7 January 2013
Online 23 January 2013

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Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.003 Å
R = 0.034
wR = 0.095
Data-to-parameter ratio = 14.2
Details
Open access

catena-Poly[[[triaqua[3-(4-carboxyphenoxy)phthalato-[kappa]O2]manganese(II)]-[mu]-4,4'-bipyridine-[kappa]2N:N'] 4,4'-bipyridine monosolvate dihydrate]

Wei Suna*

aDepartment of Chemistry, University of Science and Technology Beijing, Beijing 100083, People's Republic of China
Correspondence e-mail: 760064489@qq.com

In the title compound, {[Mn(C15H8O7)(C10H8N2)(H2O)3]·C10H8N2·2H2O}n, the bridging mode of the coordinating 4,4'-bipyridine ligands leads to the formation of polymeric zigzag chains parallel to [0-11]. The chains are separated by 4,4'-bipyridine and water solvent molecules. Within a chain, the MnII atom is six-coordinated by two N atoms of the bridging 4,4'-bipyridine ligands, three water O atoms and one carboxylate O atom of a single deprotonated 3-(4-carboxyphenoxy)phthalic acid ligand. Both coordinating and solvent 4,4'-bipyridine molecules are situated on centres of inversion. An intricate network of O-H...O and O-H...N hydrogen bonds involving the carboxy group, the coordinating water molecules and the two types of solvent molecules leads to the formation of a three-dimensional network.

Related literature

For applications of metal-organic coordination polymers, see: Leininger et al. (2000[Leininger, S., Olenyuk, B. & Stang, P. J. (2000). Chem. Rev. 100, 853-908.]). For a related structure, see: Wang et al. (2009[Wang, H., Zhang, D., Sun, D., Chen, Y., Zhang, L.-F., Tian, L., Jiang, J. & Ni, Z.-H. (2009). Cryst. Growth Des. 9, 5273-5282.]). For synthetic details, see: Cai (2011[Cai, X. (2011). Acta Cryst. E67, m60.]); Wang et al. (2010[Wang, H., Zhang, D., Sun, D., Chen, Y., Wang, K., Ni, Z.-H., Tian, L. & Jiang, J. (2010). CrystEngComm, 12, 1096-1102.]).

[Scheme 1]

Experimental

Crystal data

  • [Mn(C15H8O7)(C10H8N2)(H2O)3]·C10H8N2·2H2O

  • Mr = 757.60

  • Triclinic, [P \overline 1]

  • a = 10.765 (1) Å

  • b = 11.883 (2) Å

  • c = 14.574 (1) Å

  • [alpha] = 110.275 (3)°

  • [beta] = 95.028 (1)°

  • [gamma] = 94.970 (1)°

  • V = 1728.4 (4) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 0.45 mm-1

  • T = 293 K

  • 0.18 × 0.14 × 0.10 mm
Data collection

  • Bruker APEXII CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2004[Bruker (2004). APEX2, SAINT-Plus and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.923, Tmax = 0.956

  • 9338 measured reflections

  • 6673 independent reflections

  • 5695 reflections with I > 2[sigma](I)

  • Rint = 0.016
Refinement

  • R[F2 > 2[sigma](F2)] = 0.034

  • wR(F2) = 0.095

  • S = 1.07

  • 6673 reflections

  • 469 parameters

  • 18 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.25 e Å-3

  • [Delta][rho]min = -0.28 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O7-H7A...N4i 0.94 1.64 2.577 (2) 170
O8-H8B...N3ii 0.90 1.94 2.814 (2) 166
O8-H8A...O3 0.95 1.76 2.662 (2) 158
O9-H9A...O2 0.95 1.87 2.8035 (19) 165
O9-H9B...O2iii 0.89 1.77 2.6595 (18) 174
O10-H10A...O11iv 0.99 1.78 2.771 (2) 173
O10-H10B...O1iii 0.82 1.84 2.6545 (19) 174
O11-H11B...O12 0.88 1.93 2.803 (3) 170
O11-H11A...O6v 0.84 2.02 2.847 (2) 168
O12-H12A...O3vi 0.85 2.14 2.802 (3) 134
O12-H12B...O2vi 0.85 2.45 3.139 (3) 139
Symmetry codes: (i) x-1, y, z; (ii) x, y+1, z; (iii) -x, -y+1, -z; (iv) -x, -y+1, -z+1; (v) -x, -y, -z+1; (vi) -x+1, -y+1, -z+1.

Data collection: APEX2 (Bruker, 2004[Bruker (2004). APEX2, SAINT-Plus and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT-Plus (Bruker, 2004[Bruker (2004). APEX2, SAINT-Plus and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: XP in SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2704 ).

Acknowledgements

The University of Science and Technology, Beijing, is acknowledged for support.

References

Bruker (2004). APEX2, SAINT-Plus and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Cai, X. (2011). Acta Cryst. E67, m60.  [CrossRef] [details]
Leininger, S., Olenyuk, B. & Stang, P. J. (2000). Chem. Rev. 100, 853-908.  [ISI] [CrossRef] [PubMed] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Wang, H., Zhang, D., Sun, D., Chen, Y., Wang, K., Ni, Z.-H., Tian, L. & Jiang, J. (2010). CrystEngComm, 12, 1096-1102.  [ISI] [CSD] [CrossRef] [ChemPort]
Wang, H., Zhang, D., Sun, D., Chen, Y., Zhang, L.-F., Tian, L., Jiang, J. & Ni, Z.-H. (2009). Cryst. Growth Des. 9, 5273-5282.  [CSD] [CrossRef] [ChemPort]

Acta Cryst (2013). E69, m124  [ doi:10.1107/S1600536813000585 ]

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