(Benzene­carbothio­amide-κS)­penta­carbonyl­tungsten(0)

Merniz, S.; Mokhtari, M.; Bouacida, S.; Ouahab, L.; Mousser, A.

doi:10.1107/S1600536811008579

Volume 67
Part 4
Pages m429-m430
April 2011

Received 10 February 2011
Accepted 6 March 2011
Online 12 March 2011

Key indicators
Single-crystal X-ray study
T = 295 K
Mean (C-C) = 0.011 Å
R = 0.043
wR = 0.122
Data-to-parameter ratio = 18.3
Details

(Benzenecarbothioamide-S)pentacarbonyltungsten(0)

Salah Merniz,^a Mahiedine Mokhtari,^b Sofiane Bouacida,^b,^c ^* Lahcène Ouahab ^d and Abdelhamid Mousser ^a

^aDépartement de Chimie, Faculté des Sciences Exactes, Université Mentouri Constantine, Route de Ain El Bey, Constantine, Algeria,^bDépartement Sciences de la Matière, Facult des Sciences Exactes et Sciences de la Nature et de la Vie, Universit'e Larbi Ben M'hidi, Oum El Bouaghi 04000, Algeria,^cUnité de Recherche de Chimie de l'Environnement et Moléculaire Structurale, CHEMS, Université Mentouri-Constantine, 25000 Algeria, and ^dEquipe Organométallique et Matériaux Moléculaires, UMR6226 CNRS-Université de Rennes 1, Avenue du Général Leclerc, 35042, Rennes, France
Correspondence e-mail: bouacida_sofiane@yahoo.fr

The asymmetric unit of the title complex, [W(C₇H₇NS)(CO)₅], comprises two independent molecules. In each, the W atom is coordinated by five CO groups and the S atom of the benzencarbothioamide ligand in a distorted octahedral geometry. The crystal packing can be described as undulating layers of W(CO)₅ and benzenecarbothioamide parallel to (001). In the crystal, components are linked via intermolecular N-HO and C-HO hydrogen bonds to form a dimeric chains along the [010] direction. Intramolecular N-HC interactions are also observed.

Related literature

For applications of thioamides, see: Gok & Cetinkaya (2004). For the preparation of metal complexes of thiones, see: Raper (1994, 1996, 1997). For related structures, see: Saito et al. (2007); Pasynsky et al. (2007); Darensbourg et al. (1999). For the coordination characteristics of thioamides, see: Raper et al. (1983)

Experimental

Crystal data

[W(C₇H₇NS)(CO)₅]
M_r = 461.10
Monoclinic, P 2₁ /n
a = 7.311 (1) Å
b = 19.567 (2) Å
c = 20.342 (1) Å
= 91.85 (1)°
V = 2908.5 (5) Å³
Z = 8
Mo K radiation
= 8.10 mm^-1
T = 295 K
0.05 × 0.05 × 0.04 mm

Data collection

Nonius KappaCCD diffractometer
11978 measured reflections
6616 independent reflections
5239 reflections with I > 2(I)
R_int = 0.039

Refinement

R[F² > 2(F²)] = 0.043
wR(F²) = 0.122
S = 1.09
6616 reflections
362 parameters
H-atom parameters constrained
_max = 2.05 e Å^-3
_min = -1.81 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N1A-H2AO3Bⁱ	0.86	2.52	3.174 (8)	133
C9B-H9BO4Bⁱⁱ	0.93	2.53	3.285 (10)	139
N1B-H2BC3B	0.86	2.59	3.263 (9)	136
N1A-H2AC4A	0.86	2.69	3.412 (10)	142
Symmetry codes: (i) -x+1, -y, -z+1; (ii) $[-x+{\script{1\over 2}}, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]$ .

Data collection: COLLECT (Nonius, 1998); cell refinement: SCALEPACK (Otwinowski & Minor, 1997); data reduction: DENZO (Otwinowski & Minor, 1997) and SCALEPACK; program(s) used to solve structure: SIR2002 (Burla et al., 2003); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997) and DIAMOND (Brandenburg & Putz, 2001); software used to prepare material for publication: WinGX (Farrugia, 1999).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: ZK2003 ).

Acknowledgements

The authors thank the Algerian Ministère de l'Enseignement Supeérieur et de la Recherche Scientifique for financial support.

References

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metal-organic compounds