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Volume 68 
Part 12 
Page m1462  
December 2012  

Received 29 October 2012
Accepted 2 November 2012
Online 10 November 2012

Key indicators
Single-crystal X-ray study
T = 173 K
Mean [sigma](C-C) = 0.004 Å
R = 0.036
wR = 0.100
Data-to-parameter ratio = 13.8
Details
Open access

Bis(9-allyl-6-carboxy-9H-carbazole-3-carboxylato-[kappa]2O3,O3')diaquazinc

aEnvironmental Engineering Department, Xiamen University of Technology, Xiamen 361024, People's Republic of China
Correspondence e-mail: chemlidl@163.com

In the title compound, [Zn(C17H12NO4)2(H2O)2], the ZnII atom is located on a twofold rotation axis and is six-coordinated by four carboxylate O atoms from two chelating 9-allyl-6-carboxy-9H-carbazole-3-carboxylate ligands and two O atoms from two water molecules. In the crystal, O-H...O hydrogen bonds link the molecules into a layer structure parallel to (-101).

Related literature

For the design and properties of complexes with supramolecular metal-organic framework structures, see: Li et al. (2011[Li, H.-J., Gao, Z.-Q. & Gu, J.-Z. (2011). Acta Cryst. E67, m919.]); Yang et al. (2007[Yang, X.-P., Jones, R. A., Rivers, J. H. & Lai, R. P. (2007). Dalton Trans. pp. 3936-3942.]). For related structures, see: Wang et al. (2010[Wang, G.-H., Lei, Y.-Q., Wang, N., He, R.-L., Jia, H.-Q., Hu, N.-H. & Xu, J.-W. (2010). Cryst. Growth Des. 10, 534-540.]).

[Scheme 1]

Experimental

Crystal data
  • [Zn(C17H12NO4)2(H2O)2]

  • Mr = 689.95

  • Monoclinic, C 2/c

  • a = 30.8562 (18) Å

  • b = 5.0491 (3) Å

  • c = 21.8915 (13) Å

  • [beta] = 119.403 (1)°

  • V = 2971.3 (3) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.89 mm-1

  • T = 173 K

  • 0.22 × 0.16 × 0.14 mm

Data collection
  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2001[Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.828, Tmax = 0.885

  • 7758 measured reflections

  • 2942 independent reflections

  • 2390 reflections with I > 2[sigma](I)

  • Rint = 0.033

Refinement
  • R[F2 > 2[sigma](F2)] = 0.036

  • wR(F2) = 0.100

  • S = 1.02

  • 2942 reflections

  • 213 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.27 e Å-3

  • [Delta][rho]min = -0.26 e Å-3

Table 1
Selected bond lengths (Å)

Zn1-O1 2.4040 (15)
Zn1-O2 2.0392 (15)
Zn1-O1W 1.9824 (16)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1W-H1A...O4i 0.84 1.81 2.654 (2) 177
O1W-H1B...O2ii 0.85 1.88 2.728 (2) 170
O3-H3A...O1i 0.87 1.77 2.634 (2) 173
Symmetry codes: (i) [-x+{\script{1\over 2}}, -y+{\script{5\over 2}}, -z+1]; (ii) [-x+1, y+1, -z+{\script{3\over 2}}].

Data collection: APEX2 (Bruker, 2007[Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXTL; molecular graphics: XP in SHELXTL and Mercury (Macrae et al., 2006[Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst. 39, 453-457.]); software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: VN2058 ).


Acknowledgements

This work was supported by the Scientific Research Foundation for Introduced Talents of Xiamen University of Technology (grant No. YKJ10003R).

References

Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Li, H.-J., Gao, Z.-Q. & Gu, J.-Z. (2011). Acta Cryst. E67, m919.  [CSD] [CrossRef] [details]
Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst. 39, 453-457.  [ISI] [CrossRef] [ChemPort] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Wang, G.-H., Lei, Y.-Q., Wang, N., He, R.-L., Jia, H.-Q., Hu, N.-H. & Xu, J.-W. (2010). Cryst. Growth Des. 10, 534-540.  [CrossRef] [ChemPort]
Yang, X.-P., Jones, R. A., Rivers, J. H. & Lai, R. P. (2007). Dalton Trans. pp. 3936-3942.  [CSD] [CrossRef]


Acta Cryst (2012). E68, m1462  [ doi:10.1107/S1600536812045357 ]

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