Poly[(μ-2-acet­oxy­benzoato)(2-acet­oxy­benzoato)-μ-aqua-mercury(II)]

PrakashaReddy, J.

doi:10.1107/S1600536811029278

Volume 67
Part 8
Page m1151
August 2011

Received 28 June 2011
Accepted 20 July 2011
Online 30 July 2011

Key indicators
Single-crystal X-ray study
T = 120 K
Mean (C-C) = 0.009 Å
R = 0.040
wR = 0.092
Data-to-parameter ratio = 20.9
Details

Poly[(-2-acetoxybenzoato)(2-acetoxybenzoato)--aqua-mercury(II)]

J. PrakashaReddy ^a ^*

^aDepartment of Chemistry, MS015, Brandeis University, Waltham, MA 02454, USA
Correspondence e-mail: j.prakashareddy@gmail.com

In the title compound, [Hg(C₉H₇O₄)₂(H₂O)]_n, the Hg^II ion is five-coordinated by three acetylsalicylate anions and water leading to the formation of a coordination polymer extending parallel to (001). O-HO and C-HO hydrogen bonds are effective in the stabilization of the crystal structure.

Related literature

For general background to metal complexes with acetylsalicylate as a ligand, see: Manojlovic-Muir (1973); Garcia et al. (2003); Greenaway et al. (1984); Fujimori et al. (2005); James et al. (1998); Vasquez-Arciga et al. (2004); Ma & Moulton (2007).

Experimental

Crystal data

[Hg(C₉H₇O₄)₂(H₂O)]
M_r = 1153.80
Triclinic, $[P \overline 1]$
a = 6.1851 (9) Å
b = 10.1359 (17) Å
c = 15.453 (2) Å
= 100.308 (7)°
= 98.700 (8)°
= 100.667 (7)°
V = 919.5 (2) Å³
Z = 1
Mo K radiation
= 8.42 mm^-1
T = 120 K
0.21 × 0.17 × 0.02 mm

Data collection

Bruker Kappa APEXII diffractometer
Absorption correction: analytical (De Meulenaer & Tompa, 1965) T_min = 0.24, T_max = 0.83
9510 measured reflections
5293 independent reflections
4404 reflections with I > 2(I)
R_int = 0.037

Refinement

R[F² > 2(F²)] = 0.040
wR(F²) = 0.092
S = 0.97
5293 reflections
253 parameters
H-atom parameters constrained
_max = 1.88 e Å^-3
_min = -2.19 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O9-H2O2ⁱ	0.82	2.01	2.835 (7)	180 (1)
O9-H1O5ⁱ	0.82	1.93	2.758 (5)	179 (1)
C9-H92O1ⁱⁱ	0.95	2.49	3.409 (9)	163
C15-H151O4ⁱⁱⁱ	0.95	2.51	3.221 (8)	132
C18-H181O5ⁱⁱⁱ	0.95	2.59	3.530 (9)	169
Symmetry codes: (i) x+1, y, z; (ii) x-1, y, z; (iii) -x+2, -y+2, -z+1.

Data collection: APEX2 (Bruker, 2006); cell refinement: SAINT (Bruker, 2006); data reduction: SAINT; program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: CRYSTALS (Betteridge et al., 2003); molecular graphics: Mercury (Macrae et al., 2006); software used to prepare material for publication: CRYSTALS.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: DN2701 ).

Acknowledgements

The author thank Bruce Foxman for his generous support in providing single-crystal data and valuable suggestions.

References

Altomare, A., Cascarano, G., Giacovazzo, C., Guagliardi, A., Burla, M. C., Polidori, G. & Camalli, M. (1994). J. Appl. Cryst. 27, 435.
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Fujimori, T., Yamada, S., Yasui, H., Sakurai, H., In, Y. & Ishida, T. (2005). J. Biol. Inorg. Chem. 10, 831-841.
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Meulenaer, J. de & Tompa, H. (1965). Acta Cryst. 19, 1014-1018.
Vásquez-Árciga, H., Pérez-Benítez, A., Álvarez-Hernández, A., Bernès, S. & Méndez-Rojas, M. A. (2004). Acta Cryst. E60, m1621-m1623.

metal-organic compounds