1,3-Benzothia­zolium tetra­chlorido­aurate(III) tetra­hydro­furan solvate

Hagos, T.K.; Nogai, S.D.; Dobrzańska, L.; Cronje, S.; Raubenheimer, H.G.

doi:10.1107/S1600536809003572

Volume 65
Part 3
Pages m255-m256
March 2009

Received 26 January 2009
Accepted 29 January 2009
Online 6 February 2009

Key indicators
Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.007 Å
R = 0.027
wR = 0.064
Data-to-parameter ratio = 20.0
Details

1,3-Benzothiazolium tetrachloridoaurate(III) tetrahydrofuran solvate

Tesfamariam K. Hagos,^a Stefan D. Nogai,^a Liliana Dobrzanska,^a ^* Stephanie Cronje ^a and Helgard G. Raubenheimer ^a

^aDepartment of Chemistry, University of Stellenbosch, Private Bag X1, Matieland, South Africa
Correspondence e-mail: lianger@sun.ac.za

In the crystal structure of the title ionic compound (C₇H₆NS)[AuCl₄]·C₄H₈O, the [AuCl₄]^- anion shows a typical square-planar geometry. Numerous weak C-HCl hydrogen bonds between [AuCl₄]^- and the 1,3-benzothiazolium units form layers comprised of 24-membered rings in which hydrogen-bonded tetrahydrofuran (THF) solvent molecules are accommodated. C-HCl interactions between THF and [AuCl₄]^- from adjacent layers result in bilayers. These are further stabilized by [pi] - [pi] interactions between the thiazole and benzene rings [centroid-centroid distance = 3.971 (3) Å], resulting in the formation of a three-dimensional supramolecular assembly.

Related literature

For background, see: Hagos et al. (2008). For related compounds, see: Huynh et al. (2006); Yen et al. (2006, 2008). For bond-length data, see Adé et al. (2004); Asaji et al. (2004); Makotchenko et al. (2006). For related literature, see: Brammer et al. (2001).

Experimental

Crystal data

(C₇H₆NS)[AuCl₄]·C₄H₈O
M_r = 547.06
Triclinic, $[P \overline 1]$
a = 7.3213 (7) Å
b = 10.3498 (10) Å
c = 11.8783 (12) Å
= 99.331 (1)°
= 107.579 (1)°
= 104.483 (2)°
V = 802.75 (14) Å³
Z = 2
Mo K radiation
= 9.95 mm^-1
T = 100 (2) K
0.30 × 0.20 × 0.10 mm

Data collection

Bruker APEX CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1997) T_min = 0.101, T_max = 0.371
4957 measured reflections
3504 independent reflections
3325 reflections with I > 2(I)
R_int = 0.013

Refinement

R[F² > 2(F²)] = 0.027
wR(F²) = 0.064
S = 1.05
3504 reflections
175 parameters
1 restraint
H atoms treated by a mixture of independent and constrained refinement
_max = 2.27 e Å^-3
_min = -1.00 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N6-H6O14	0.86 (5)	1.87 (5)	2.728 (5)	177 (6)
C5-H5Cl2ⁱ	0.95	2.65	3.588 (5)	170
C8-H8Cl4	0.95	2.93	3.447 (5)	116
C9-H9Cl4	0.95	3.00	3.498 (5)	114
C10-H10Cl2ⁱⁱ	0.95	2.96	3.541 (6)	121
C11-H11Cl2ⁱⁱ	0.95	2.90	3.498 (5)	122
C11-H11Cl3ⁱⁱ	0.95	2.77	3.639 (5)	154
C15-H15BCl1ⁱⁱⁱ	0.99	3.02	3.922 (6)	153
C18-H18ACl4ⁱⁱⁱ	0.99	2.91	3.547 (6)	123
Symmetry codes: (i) x+1, y+1, z+1; (ii) x+1, y, z+1; (iii) -x+1, -y+1, -z+1.

Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2002); 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: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: NG2541 ).

Acknowledgements

The authors thank the National Research Foundation of South Africa and the University of Stellenbosch for financial support.

References

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Bruker (2001). SMART. Bruker AXS Inc., Madison, Wisconsin, USA.
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Yen, S. K., Koh, L. L., Huynh, H. V. & Hor, T. S. A. (2008). Dalton Trans. pp. 699-706.

metal-organic compounds