Bis(9-allyl-6-carb­oxy-9H-carbazole-3-carboxyl­ato-κ2O3,O3′)diaqua­zinc

Li, D.

doi:10.1107/S1600536812045357

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 (C-C) = 0.004 Å
R = 0.036
wR = 0.100
Data-to-parameter ratio = 13.8
Details

Bis(9-allyl-6-carboxy-9H-carbazole-3-carboxylato-²O³,O^3')diaquazinc

Dailin Li ^a ^*

^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 Zn^II 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-HO 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); Yang et al. (2007). For related structures, see: Wang et al. (2010).

Experimental

Crystal data

[Zn(C₁₇H₁₂NO₄)₂(H₂O)₂]
M_r = 689.95
Monoclinic, C 2/c
a = 30.8562 (18) Å
b = 5.0491 (3) Å
c = 21.8915 (13) Å
= 119.403 (1)°
V = 2971.3 (3) Å³
Z = 4
Mo K radiation
= 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) T_min = 0.828, T_max = 0.885
7758 measured reflections
2942 independent reflections
2390 reflections with I > 2(I)
R_int = 0.033

Refinement

R[F² > 2(F²)] = 0.036
wR(F²) = 0.100
S = 1.02
2942 reflections
213 parameters
H-atom parameters constrained
_max = 0.27 e Å^-3
_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-HA	D-H	HA	DA	D-HA
O1W-H1AO4ⁱ	0.84	1.81	2.654 (2)	177
O1W-H1BO2ⁱⁱ	0.85	1.88	2.728 (2)	170
O3-H3AO1ⁱ	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); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL; molecular graphics: XP in SHELXTL and Mercury (Macrae et al., 2006); 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.
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.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
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.
Yang, X.-P., Jones, R. A., Rivers, J. H. & Lai, R. P. (2007). Dalton Trans. pp. 3936-3942.

metal-organic compounds

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