(5,5′-Dicarboxy­biphenyl-2,2′-dicarboxyl­ato-κ2O2,O2′)bis­(1,10-phenanthroline-κ2N,N′)zinc(II) dihydrate

Chen, R.-Z.; Guo, F.-J.; Meng, F.-L.

doi:10.1107/S1600536808015742

Volume 64
Part 7
Page m855
July 2008

Received 5 May 2008
Accepted 26 May 2008
Online 7 June 2008

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.006 Å
R = 0.058
wR = 0.125
Data-to-parameter ratio = 13.7
Details

(5,5'-Dicarboxybiphenyl-2,2'-dicarboxylato-²O²,O^2')bis(1,10-phenanthroline-²N,N')zinc(II) dihydrate

Rui-Zhan Chen,^a,^b ^* Fei-Jun Guo ^a and Fan-Lei Meng ^a

^aCollege of Chemistry, Changchun Normal University, Changchun 130032, People's Republic of China, and ^bChangchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun Center of Mass Spectrometry, Changchun 130022, People's Republic of China
Correspondence e-mail: rzchenchem@yahoo.cn

In the title compound, [Zn(C₁₆H₈O₈)(C₁₂H₈N₂)₂]·2H₂O, the Zn^II atom is located on a twofold rotation axis and is six-coordinated by two O atoms from a 5,5'-dicarboxybiphenyl-2,2'-dicarboxylate ligand and four N atoms from two 1,10-phenanthroline molecules in a distorted octahedral geometry. The crystal structure involves O-HO hydrogen bonds.

Related literature

For related literature, see: Che et al. (2006); Chen et al. (2008); Lehn (1990); Zang et al. (2006).

Experimental

Crystal data

[Zn(C₁₆H₈O₈)(C₁₂H₈N₂)₂]·2H₂O
M_r = 790.03
Monoclinic, C 2/c
a = 16.901 (5) Å
b = 9.473 (3) Å
c = 22.126 (7) Å
= 96.429 (5)°
V = 3520.4 (19) Å³
Z = 4
Mo K radiation
= 0.77 mm^-1
T = 293 (2) K
0.26 × 0.22 × 0.20 mm

Data collection

Bruker SMART APEX CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2001) T_min = 0.817, T_max = 0.853
9664 measured reflections
3487 independent reflections
2437 reflections with I > 2(I)
R_int = 0.049

Refinement

R[F² > 2(F²)] = 0.057
wR(F²) = 0.124
S = 1.04
3487 reflections
255 parameters
2 restraints
H atoms treated by a mixture of independent and constrained refinement
_max = 0.31 e Å^-3
_min = -0.22 e Å^-3

Table 1
Selected geometric parameters (Å, °)

Zn1-O1	2.102 (2)
Zn1-N1	2.130 (3)
Zn1-N2	2.199 (3)

O1-Zn1-O1ⁱ	106.16 (11)
O1-Zn1-N1ⁱ	98.70 (10)
O1-Zn1-N1	87.72 (10)
N1ⁱ-Zn1-N1	169.36 (16)
O1-Zn1-N2	162.88 (11)
N1-Zn1-N2	76.44 (13)
O1-Zn1-N2ⁱ	82.94 (10)
N1-Zn1-N2ⁱ	96.08 (12)
N2-Zn1-N2ⁱ	92.23 (15)
Symmetry code: (i) $[-x+1, y, -z+{\script{3\over 2}}]$ .

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O3-H3AO2ⁱⁱ	0.82	1.74	2.538 (3)	162
O1W-H1BO4ⁱⁱⁱ	0.86 (3)	2.24 (2)	2.966 (4)	143 (3)
O1W-H1AO2	0.85 (3)	2.00 (2)	2.808 (4)	159 (4)
Symmetry codes: (ii) $[x+{\script{1\over 2}}, y-{\script{1\over 2}}, z]$ ; (iii) -x+1, -y, -z+2.

Data collection: SMART (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: 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: HY2133 ).

Acknowledgements

The authors thank Changchun Normal University for supporting this work.

References

Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Che, G.-B., Liu, H., Liu, C.-B. & Liu, B. (2006). Acta Cryst. E62, m286-m288.
Chen, R., Guo, F. & Meng, F. (2008). Acta Cryst. E64, m761.
Lehn, J. M. (1990). Angew. Chem. Int. Ed. Engl. 29, 1304-1305.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Zang, S.-Q., Yang, S., Li, Y.-Z., Ni, Z.-P. & Meng, Q.-J. (2006). Inorg. Chem. 45, 174-180.

metal-organic compounds

(5,5'-Dicarboxybiphenyl-2,2'-dicarboxylato-2O2,O2')bis(1,10-phenanthroline-2N,N')zinc(II) dihydrate