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Volume 69 
Part 4 
Page m216  
April 2013  

Received 18 February 2013
Accepted 4 March 2013
Online 16 March 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.003 Å
R = 0.030
wR = 0.078
Data-to-parameter ratio = 15.9
Details
Open access

catena-Poly[[[bis(4-pyridinealdoxime-[kappa]N1)zinc]-[mu]-benzene-1,4-dicarboxylato-[kappa]2O1:O4] 4-pyridinealdoxime monosolvate]

aToyota Central R&D Labs., Inc., Nagakute 41-1, Aichi, Japan, and bDepartment of Chemistry, Fukuoka University, Fukuoka 814-0180, Japan
Correspondence e-mail: e1254@mosk.tytlabs.co.jp

In the title compound, {[Zn(C8H4O4)(C6H6N2O)2]·C6H6N2O}n, the ZnII ion exhibits a tetrahedral coordination environment defined by two benzene-1,4-dicarboxylate dianions and two 4-pyridinealdoxime ligands. The dianions bridge the ZnII ions, giving a zigzag chain along the b axis. Adjacent chains are connected by O-H...O hydrogen bonds, forming a cavity in which an uncoordinating 4-pyridinealdoxime molecule is located; this molecule is linked by O-H...O and O-H...N hydrogen bonds to the zigzag chain.

Related literature

For coordination polymers, see: Cheetham et al. (1999[Cheetham, A. K., Ferey, G. & Loiseau, T. (1999). Angew. Chem. Int. Ed. 38, 3268-3292.]); Furukawa et al. (2010[Furukawa, H., Ko, N., Go, Y. B., Aratani, N., Choi, S. B., Choi, E., Yazaydin, A. O., Snurr, R. Q., O'Keeffe, M., Kim, J. & Yaghi, O. M. (2010). Science, 329, 424-428.]). For related host-guest systems, see: Kitagawa & Kawata (2002[Kitagawa, S. & Kawata, S. (2002). Coord. Chem. Rev. 224, 11-34.]); Lehn (1995[Lehn, J.-M. (1995). In Supramolecular Chemistry: Concepts and Perspectives. VCH: Weinheim.]).

[Scheme 1]

Experimental

Crystal data
  • [Zn(C8H4O4)(C6H6N2O)2]·C6H6N2O

  • Mr = 595.88

  • Monoclinic, P 21 /c

  • a = 7.583 (3) Å

  • b = 15.831 (6) Å

  • c = 21.906 (8) Å

  • [beta] = 98.516 (3)°

  • V = 2600.7 (16) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.00 mm-1

  • T = 293 K

  • 0.60 × 0.40 × 0.15 mm

Data collection
  • Rigaku Mercury70 diffractometer

  • Absorption correction: multi-scan (REQAB; Rigaku, 1998[Rigaku (1998). REQAB. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.714, Tmax = 0.860

  • 24675 measured reflections

  • 5922 independent reflections

  • 5402 reflections with I > 2[sigma](I)

  • Rint = 0.019

Refinement
  • R[F2 > 2[sigma](F2)] = 0.030

  • wR(F2) = 0.078

  • S = 1.06

  • 5922 reflections

  • 373 parameters

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 0.34 e Å-3

  • [Delta][rho]min = -0.27 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O5-H3...N5i 0.89 (5) 1.81 (4) 2.692 (3) 172 (4)
O6-H9...O4ii 0.81 (3) 1.94 (3) 2.752 (3) 177 (3)
O7-H13...O4i 0.77 (4) 2.07 (4) 2.800 (3) 158 (4)
Symmetry codes: (i) x+1, y, z; (ii) [x+1, -y+{\script{1\over 2}}, z-{\script{1\over 2}}].

Data collection: CrystalClear (Rigaku/MSC, 2005[Rigaku/MSC (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.]); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SIR2008 (Burla et al., 2007[Burla, M. C., Caliandro, R., Camalli, M., Carrozzini, B., Cascarano, G. L., De Caro, L., Giacovazzo, C., Polidori, G., Siliqi, D. & Spagna, R. (2007). J. Appl. Cryst. 40, 609-613.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: CrystalStructure (Rigaku, 2010[Rigaku (2010). CrystalStructure. Rigaku Corporation, Tokyo, Japan.]); software used to prepare material for publication: CrystalStructure.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: IS5248 ).


References

Burla, M. C., Caliandro, R., Camalli, M., Carrozzini, B., Cascarano, G. L., De Caro, L., Giacovazzo, C., Polidori, G., Siliqi, D. & Spagna, R. (2007). J. Appl. Cryst. 40, 609-613.  [ISI] [CrossRef] [ChemPort] [details]
Cheetham, A. K., Ferey, G. & Loiseau, T. (1999). Angew. Chem. Int. Ed. 38, 3268-3292.  [ISI] [CrossRef] [ChemPort]
Furukawa, H., Ko, N., Go, Y. B., Aratani, N., Choi, S. B., Choi, E., Yazaydin, A. O., Snurr, R. Q., O'Keeffe, M., Kim, J. & Yaghi, O. M. (2010). Science, 329, 424-428.  [ISI] [CSD] [CrossRef] [ChemPort] [PubMed]
Kitagawa, S. & Kawata, S. (2002). Coord. Chem. Rev. 224, 11-34.  [ISI] [CrossRef] [ChemPort]
Lehn, J.-M. (1995). In Supramolecular Chemistry: Concepts and Perspectives. VCH: Weinheim.
Rigaku (1998). REQAB. Rigaku Corporation, Tokyo, Japan.
Rigaku (2010). CrystalStructure. Rigaku Corporation, Tokyo, Japan.
Rigaku/MSC (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2013). E69, m216  [ doi:10.1107/S1600536813006107 ]

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