(IUCr) Bis{[mu]-2-(1H-indol-3-yl)-N'-[1-(5-methyl-2-oxidophenyl)ethylidene]acetohydrazidato}bis[aquazinc(II)] dimethyl sulfoxide tetrasolvate

Volume 64
Part 8
Page m1047
August 2008

Received 10 July 2008
Accepted 15 July 2008
Online 19 July 2008

Key indicators
Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.006 Å
R = 0.057
wR = 0.158
Data-to-parameter ratio = 18.3
Details

Bis{-2-(1H-indol-3-yl)-N'-[1-(5-methyl-2-oxidophenyl)ethylidene]acetohydrazidato}bis[aquazinc(II)] dimethyl sulfoxide tetrasolvate

Kadir Zuraini,^a Hapipah M. Ali,^a Subramaniam Puvaneswary,^a Ward T. Robinson ^a and Seik Weng Ng ^a ^*

^aDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
Correspondence e-mail: seikweng@um.edu.my

The dinuclear title compound, [Zn₂(C₁₉H₁₇N₃O₂)₂(H₂O)₂]·4C₂H₆OS, lies about a center of inversion. The deprotonated monoanion O,N,O-chelates the Zn atom; the hydroxy O atom also engages in bonding to the symmetry-related Zn atom so that one N and three O atoms form a square around the metal. The coordination geometry is square-pyramidal, with the apical site occupied by a water molecule. Hydrogen bonds, with the water molecule serving as donor atom, lead to the formation of a linear chain motif. There is an N-HO hydrogen bond between the complex molecule and solvent O atom.

Related literature

For the structure of a similar Schiff base ligand, see: Ali et al. (2008).

Experimental

Crystal data

[Zn₂(C₁₉H₁₇N₃O₂)₂(H₂O)₂]·4C₂H₆OS
M_r = 1118.00
Triclinic, $[P \overline 1]$
a = 8.5271 (2) Å
b = 8.8849 (3) Å
c = 16.8279 (5) Å
= 85.519 (2)°
= 84.920 (2)°
= 84.251 (2)°
V = 1260.44 (6) Å³
Z = 1
Mo K radiation
= 1.18 mm^-1
T = 100 (2) K
0.19 × 0.03 × 0.03 mm

Data collection

Bruker SMART APEX diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T_min = 0.807, T_max = 0.966
13526 measured reflections
5739 independent reflections
3700 reflections with I > 2(I)
R_int = 0.076

Refinement

R[F² > 2(F²)] = 0.056
wR(F²) = 0.157
S = 0.99
5739 reflections
313 parameters
H-atom parameters constrained
_max = 1.18 e Å^-3
_min = -1.24 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O1W-H1W1O3	0.84	1.80	2.608 (4)	161
O1W-H1W2N2ⁱ	0.84	1.87	2.703 (4)	173
N3-H3NO4	0.88	1.95	2.822 (5)	172
Symmetry code: (i) -x, -y+1, -z+1.

Data collection: APEX2 (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: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2008).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SI2100 ).

Acknowledgements

We thank the Science Fund (12-02-03-2031, 12-02-03-2051) and the University of Malaya (PJP) for supporting this study. We are grateful to the University of Malaya for the purchase of the diffractometer.

References

Ali, H. M., Zuraini, K., Wan Jeffrey, B., Rizal, M. R. & Ng, S. W. (2008). Acta Cryst. E64, o912.
Barbour, L. J. (2001). J. Supramol. Chem. 1, 189-191.
Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Westrip, S. P. (2008). publCIF. In preparation.

metal-organic compounds