trans-Bis(2-acet­amido-5-methyl­benzoato-κO1)tetra­aqua­zinc

Huang, J.-F.; Zheng, J.-Y.; Dai, Y.-M.

doi:10.1107/S1600536811012013

Volume 67
Part 5
Page m542
May 2011

Received 10 March 2011
Accepted 31 March 2011
Online 7 April 2011

Key indicators
Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.006 Å
R = 0.055
wR = 0.179
Data-to-parameter ratio = 13.0
Details

trans-Bis(2-acetamido-5-methylbenzoato-O¹)tetraaquazinc

Jin-Feng Huang,^a Jian-You Zheng ^a and Yu-Mei Dai ^a ^*

^aCollege of Chemistry & Material Science, Fujian Key Laboratory of Polymer Materials, Fujian Normal University, Fuzhou 350007, People's Republic of China
Correspondence e-mail: hjf@fjnu.edu.cn

In the title compound, [Zn(C₁₀H₁₀NO₃)₂(H₂O)₄], the Zn^II atom lies on a crystallographic inversion center and is six-coordinated by two monodentate trans-related 2-(N-acetylamino)-5-methylbenzoato ligands and four water molecules, giving a slightly distorted octahedral geometry. There are two intramolecular hydrogen bonds [amine N-HO_carboxyl and water O-HO_carboxyl], while extensive intermolecular water O-HO hydrogen-bonding interactions extend the complex units into a two-dimensional network structure along (100).

Related literature

The study of metal coordination polymers has enhanced our understanding of the relationship between molecular structure and material function, see: Dai et al. (2005); Moulton & Zaworotko (2001).

Experimental

Crystal data

[Zn(C₁₀H₁₀NO₃)₂(H₂O)₄]
M_r = 521.83
Monoclinic, C 2/c
a = 19.300 (4) Å
b = 9.3000 (19) Å
c = 13.300 (3) Å
= 107.60 (3)°
V = 2275.5 (9) Å³
Z = 4
Mo K radiation
= 1.14 mm^-1
T = 296 K
0.42 × 0.40 × 0.25 mm

Data collection

Bruker SMART CCD diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T_min = 0.626, T_max = 0.752
10817 measured reflections
2130 independent reflections
1941 reflections with I > 2(I)
R_int = 0.029

Refinement

R[F² > 2(F²)] = 0.055
wR(F²) = 0.179
S = 1.11
2130 reflections
164 parameters
2 restraints
H atoms treated by a mixture of independent and constrained refinement
_max = 0.49 e Å^-3
_min = -0.77 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N1-H1AO1	0.86	1.95	2.616 (4)	133
O1W-H1WAO2ⁱ	0.81 (2)	1.90 (2)	2.704 (4)	170 (5)
O1W-H1WBO3ⁱⁱ	0.83 (2)	1.88 (2)	2.707 (4)	177 (4)
O2W-H2WAO2ⁱ	0.80 (4)	2.12 (4)	2.916 (5)	172 (5)
O2W-H2WBO3ⁱⁱⁱ	0.83 (4)	1.84 (3)	2.627 (4)	159 (5)
Symmetry codes: (i) -x+1, -y+1, -z+2; (ii) $[-x+1, y, -z+{\script{3\over 2}}]$ ; (iii) -x+1, -y, -z+2.

Data collection: SMART (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); 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: ZS2102 ).

Acknowledgements

This work was supported financially by the Foundation of the Ministry of Education of Fujian Province (JB08037).

References

Bruker (2004). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Dai, Y. M., Ma, E., Tang, E., Zhang, J., Li, Z. J., Huang, X. & Yao, Y. G. (2005). Cryst. Growth Des. 5, 1313-1315.
Moulton, B. & Zaworotko, M. J. (2001). Chem. Rev. 101, 1629-1639.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds

trans-Bis(2-acetamido-5-methylbenzoato-O1)tetraaquazinc