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Volume 68 
Part 1 
Page m49  
January 2012  

Received 30 November 2011
Accepted 6 December 2011
Online 14 December 2011

Key indicators
Single-crystal X-ray study
T = 173 K
Mean [sigma](C-C) = 0.012 Å
Disorder in main residue
R = 0.050
wR = 0.109
Data-to-parameter ratio = 17.2
Details
Open access
ADDENDA AND ERRATA

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Chlorido{N-[(E)-2-(diphenylphosphanyl)benzylidene]-2-(thiophen-2-yl)ethanamine-[kappa]P}gold(I)

aResearch Center for Synthesis and Catalysis, Department of Chemistry, University of Johannesburg (APK Campus), PO Box 524, Auckland Park, Johannesburg 2006, South Africa
Correspondence e-mail: harrychiririwa@yahoo.com, mullera@uj.ac.za

The title compound, [AuCl(C25H22NPS)], crystallizes with two independent molecules in the asymmetric unit in which the thiophene fragments are disordered over two sets of sites with 0.537 (10):0.463 (10) and 0.701 (9):0.299 (9) occupancy ratios. In both cases, the thiophene ring is rotated by approximately 180° for the second component. Important geometrical parameters include Au-P = 2.235 (2) and 2.237 (2) Å, Au-Cl = 2.286 (2) and 2.292 (2) Å, and P-Au-Cl = 177.39 (8) and 172.63 (7)°. Weak intermolecular C-H...Cl interactions are observed in the crystal structure.

Related literature

For general background to the title compound, see: Shaw (1999[Shaw, C. F. III (1999). Chem. Rev. 99, 2589-2600.]); Barnard et al. (2004[Barnard, P. J., Baker, M. V., Berners-Price, S. J. & Day, D. A. (2004). J. Inorg. Biochem. 98, 1642-1647.]); Nomiya et al. (2003[Nomiya, K., Yamamoto, S., Noguchi, R., Yokoyama, H., Kasuga, N. C., Ohyama, K. & Kato, C. (2003). J. Inorg. Biochem. 95, 208-220.]). For details on the conformational fit of the two molecules using Mercury, see: Macrae et al. (2006[Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst. 39, 453-457.]); Weng et al. (2008a[Weng, Z. F., Motherwell, W. D. S., Allen, F. H. & Cole, J. M. (2008a). Acta Cryst. B64, 348-362.],b[Weng, Z. F., Motherwell, W. D. S. & Cole, J. M. (2008b). J. Appl. Cryst. 41, 955-957.]).

[Scheme 1]

Experimental

Crystal data
  • [AuCl(C25H22NPS)]

  • Mr = 631.88

  • Monoclinic, P 21 /c

  • a = 11.866 (2) Å

  • b = 10.625 (2) Å

  • c = 37.811 (7) Å

  • [beta] = 105.63 (3)°

  • V = 4590.8 (16) Å3

  • Z = 8

  • Mo K[alpha] radiation

  • [mu] = 6.70 mm-1

  • T = 173 K

  • 0.14 × 0.13 × 0.06 mm

Data collection
  • Bruker APEX DUO 4K CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2007[Bruker (2007). APEX2, XPREP, SADABS and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.454, Tmax = 0.689

  • 107056 measured reflections

  • 11023 independent reflections

  • 7856 reflections with I > 2[sigma](I)

  • Rint = 0.126

Refinement
  • R[F2 > 2[sigma](F2)] = 0.050

  • wR(F2) = 0.109

  • S = 1.12

  • 11023 reflections

  • 642 parameters

  • 238 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 1.63 e Å-3

  • [Delta][rho]min = -1.24 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C28-H28...Cl1i 0.95 2.81 3.454 (9) 126
Symmetry code: (i) -x+1, -y+1, -z+2.

Data collection: APEX2 (Bruker, 2007[Bruker (2007). APEX2, XPREP, SADABS and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). APEX2, XPREP, SADABS and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT and XPREP (Bruker, 2007[Bruker (2007). APEX2, XPREP, SADABS and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); program(s) used to solve structure: SIR97 (Altomare et al., 1999[Altomare, A., Burla, M. C., Camalli, M., Cascarano, G. L., Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Polidori, G. & Spagna, R. (1999). J. Appl. Cryst. 32, 115-119.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: DIAMOND (Brandenburg & Putz, 2005[Brandenburg, K. & Putz, H. (2005). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: WinGX (Farrugia, 1999[Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: ZQ2145 ).


Acknowledgements

Financial assistance from the South African National Research Foundation (SA NRF), the Research Fund of the University of Johannesburg and SASOL is gratefully acknowledged.

References

Altomare, A., Burla, M. C., Camalli, M., Cascarano, G. L., Giacovazzo, C., Guagliardi, A., Moliterni, A. G. G., Polidori, G. & Spagna, R. (1999). J. Appl. Cryst. 32, 115-119.  [ISI] [CrossRef] [ChemPort] [details]
Barnard, P. J., Baker, M. V., Berners-Price, S. J. & Day, D. A. (2004). J. Inorg. Biochem. 98, 1642-1647.  [ISI] [CrossRef] [PubMed] [ChemPort]
Brandenburg, K. & Putz, H. (2005). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Bruker (2007). APEX2, XPREP, SADABS and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Farrugia, L. J. (1999). J. Appl. Cryst. 32, 837-838.  [CrossRef] [ChemPort] [details]
Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst. 39, 453-457.  [ISI] [CrossRef] [ChemPort] [details]
Nomiya, K., Yamamoto, S., Noguchi, R., Yokoyama, H., Kasuga, N. C., Ohyama, K. & Kato, C. (2003). J. Inorg. Biochem. 95, 208-220.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Shaw, C. F. III (1999). Chem. Rev. 99, 2589-2600.  [ISI] [CrossRef] [PubMed] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Weng, Z. F., Motherwell, W. D. S., Allen, F. H. & Cole, J. M. (2008a). Acta Cryst. B64, 348-362.  [ISI] [CrossRef] [details]
Weng, Z. F., Motherwell, W. D. S. & Cole, J. M. (2008b). J. Appl. Cryst. 41, 955-957.  [ISI] [CrossRef] [ChemPort] [details]


Acta Cryst (2012). E68, m49  [ doi:10.1107/S1600536811052536 ]

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