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Volume 68 
Part 11 
Pages m1417-m1418  
November 2012  

Received 14 June 2012
Accepted 24 October 2012
Online 31 October 2012

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.005 Å
R = 0.036
wR = 0.084
Data-to-parameter ratio = 20.7
Details
Open access

Iodido[1-(propan-2-ylidene)thiosemicarbazide-[kappa]S]bis(triphenylphosphane-[kappa]P)copper(I)

aDepartment of Chemistry, Faculty of Science, Prince of Songkla University, Hat Yai 90112, Thailand, and bDepartment of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Prince of Songkla University, Hat Yai, Songkhla 90112, Thailand
Correspondence e-mail: yupa.t@psu.ac.th

In the mononuclear title complex, [CuI(C4H9N3S)(C18H15P)2], the CuI ion displays a distorted tetrahedral coordination geometry involving two P atoms of two triphenylphosphane molecules, one S atom of a 1-(propan-2-ylidene)thiosemicarbazide molecule and one iodide ion. In the crystal, C-H...[pi] interactions [C-H...centroid distances = 3.443 (3) and 3.788 (3) Å] and N-H...S hydrogen bonds form layers parallel to (100). An intramolecular N-H...I hydrogen bond is also observed.

Related literature

For the potential applications of related complexes, see: Matesanz et al. (1999[Matesanz, A. I., Pérez, J. M., Navarro, P., Moreno, J. M., Colacio, E. & Souza, P. (1999). J. Inorg. Biochem. 76, 29-37.]); Konstantinovic et al. (2008[Konstantinovic, S. S., Radovanovic, B. C., Sovilj, S. P. & Stanojevic, S. (2008). J. Serb. Chem. Soc. 73, 7-13.]); Zhang et al. (2008[Zhang, H., Thomas, R., Oupicky, D. & Peng, F. (2008). J. Biol. Inorg. Chem. 13, 47-55.]). For relevant examples of related discrete complexes, see: Cox et al. (2000[Cox, P. J., Aslanidis, P. & Karagiannidis, P. (2000). Polyhedron, 19, 1615-1620.]); Nimthong et al. (2008[Nimthong, R., Pakawatchai, C., Saithong, S. & Charmant, J. P. H. (2008). Acta Cryst. E64, m977.]); Pakawatchai et al. (2012[Pakawatchai, C., Wattanakanjana, Y., Choto, P. & Nimthong, R. (2012). Acta Cryst. E68, m773-m774.]).

[Scheme 1]

Experimental

Crystal data
  • [CuI(C4H9N3S)(C18H15P)2]

  • Mr = 846.18

  • Triclinic, [P \overline 1]

  • a = 10.8832 (6) Å

  • b = 12.5712 (7) Å

  • c = 16.0206 (8) Å

  • [alpha] = 98.867 (1)°

  • [beta] = 100.517 (1)°

  • [gamma] = 114.056 (1)°

  • V = 1903.04 (18) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.56 mm-1

  • T = 293 K

  • 0.26 × 0.21 × 0.04 mm

Data collection
  • Bruker SMART CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2003[Bruker (2003). SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.682, Tmax = 0.940

  • 26251 measured reflections

  • 9206 independent reflections

  • 7690 reflections with I > 2[sigma](I)

  • Rint = 0.033

Refinement
  • R[F2 > 2[sigma](F2)] = 0.036

  • wR(F2) = 0.084

  • S = 1.02

  • 9206 reflections

  • 444 parameters

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 0.66 e Å-3

  • [Delta][rho]min = -0.27 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N3-H3A...S1i 0.85 (3) 2.62 (3) 3.447 (3) 166 (3)
N1-H1...I1 0.80 (3) 2.93 (3) 3.723 (2) 173 (3)
Symmetry code: (i) -x+2, -y+1, -z+1.

Data collection: SMART (Bruker, 1998[Bruker (1998). SMART. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2003[Bruker (2003). SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: Mercury (Macrae et al., 2008[Macrae, C. F., Bruno, I. J., Chisholm, J. A., Edgington, P. R., McCabe, P., Pidcock, E., Rodriguez-Monge, L., Taylor, R., van de Streek, J. & Wood, P. A. (2008). J. Appl. Cryst. 41, 466-470.]); software used to prepare material for publication: SHELXL97 and publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: ZB2025 ).


Acknowledgements

Financial support from the Center of Excellence for Innovation in Chemistry (PERCH-CIC), Office of the Higher Education Commission, Ministry of Education and Department of Chemistry, Prince of Songkla University, is gratefully acknowledged.

References

Bruker (1998). SMART. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2003). SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Cox, P. J., Aslanidis, P. & Karagiannidis, P. (2000). Polyhedron, 19, 1615-1620.  [ISI] [CSD] [CrossRef] [ChemPort]
Konstantinovic, S. S., Radovanovic, B. C., Sovilj, S. P. & Stanojevic, S. (2008). J. Serb. Chem. Soc. 73, 7-13.
Macrae, C. F., Bruno, I. J., Chisholm, J. A., Edgington, P. R., McCabe, P., Pidcock, E., Rodriguez-Monge, L., Taylor, R., van de Streek, J. & Wood, P. A. (2008). J. Appl. Cryst. 41, 466-470.  [ISI] [CrossRef] [ChemPort] [details]
Matesanz, A. I., Pérez, J. M., Navarro, P., Moreno, J. M., Colacio, E. & Souza, P. (1999). J. Inorg. Biochem. 76, 29-37.  [CrossRef] [PubMed] [ChemPort]
Nimthong, R., Pakawatchai, C., Saithong, S. & Charmant, J. P. H. (2008). Acta Cryst. E64, m977.  [CSD] [CrossRef] [details]
Pakawatchai, C., Wattanakanjana, Y., Choto, P. & Nimthong, R. (2012). Acta Cryst. E68, m773-m774.  [CrossRef] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [ISI] [CrossRef] [ChemPort] [details]
Zhang, H., Thomas, R., Oupicky, D. & Peng, F. (2008). J. Biol. Inorg. Chem. 13, 47-55.  [CrossRef] [PubMed] [ChemPort]


Acta Cryst (2012). E68, m1417-m1418   [ doi:10.1107/S1600536812044066 ]

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