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Volume 69 
Part 12 
Pages m670-m671  
December 2013  

Received 1 November 2013
Accepted 14 November 2013
Online 20 November 2013

Key indicators
Single-crystal X-ray study
T = 150 K
Mean [sigma](C-C) = 0.004 Å
R = 0.034
wR = 0.064
Data-to-parameter ratio = 18.3
Details
Open access

Poly[bis­([mu]2-1,3-phenyl­enedi­amine-[kappa]2N:N')di-[mu]-thio­cyanato-[kappa]2N:S;[kappa]2S:N-cadmium]

aLaboratoire de Génie des Matériaux et Environnement, École Nationale d'Ingénieurs de Sfax, BP 1173, Sfax, Tunisia, and bCentre de Diffractométrie X, UMR 6226 CNRS Unité des Sciences Chimiques de Rennes, Université de Rennes I, 263 Avenue du Général Leclerc, 35042 Rennes, France
Correspondence e-mail: rakya.chamli@gmail.com

The structure of the title polymeric compound, [Cd(SCN)2(C6H8N2)2]n, exhibits a two-dimensional staircase-like structure parallel to (010) in which the CdII atom lies on a twofold rotation axis and has a distorted octa­hedral CdS2N4 geometry involving four [mu]-1,3-(SCN) group donors and two N-atom donors from 1,3-phenyl­enedi­amine ligands, which also have twofold symmetry. The major contributions to the cohesion and the stability of this two-dimensional polymeric structure are the covalent Cd-S,N bonds and one weak intra­layer N-H...S hydrogen bond.

Related literature

For related structures, see: MacGillivary et al. (1994[MacGillivary, L. R., Subramamian, S. & Zaworotko, M. J. (1994). J. Chem. Soc. Chem. Commun. pp. 1325-1326.]); Fujita et al. (1995[Fujita, M., Kwan, Y. J., Sataki, O., Yamaguchi, K. & Ogura, K. (1995). J. Am. Chem. Soc. 117, 7287-7288.]); Blake et al. (1997[Blake, A. J., Champness, N. R., Khlobystov, A., Lemenovskii, D. A., Li, W.-S. & Schroder, M. (1997). Chem. Commun. pp. 2027-2028.]); Withersby et al. (1997[Withersby, M. A., Blake, A. J., Champness, N. R., Hubberstey, P., Li, W.-S. & Schroder, M. (1997). Angew. Chem. Int. Ed. Engl. 36, 2327-2329.]); Tong et al. (1998[Tong, M.-L., Ye, B.-H., Cai, J.-W. & Chen, X.-M. (1998). Inorg. Chem. 37, 2645-2650.]); Yang et al. (2001[Yang, G., Zhu, H.-G., Liang, B.-H. & Chen, X.-M. (2001). J. Chem. Soc. Dalton Trans. pp. 580-585.]); Chemli et al. (2013[Chemli, R., Kamoun, S. & Roisnel, T. (2013). Acta Cryst. E69, m292-m293.]). For the HSCN synthesis, see: Bartlett et al. (1969[Bartlett, H. E., Jurriaanse, A. & De Haas, K. (1969). Can. J. Chem. 47, 16, 2981-2986.]). For the effects of substituents on the inter­nal angles of the phenyl ring, see: Domenicano & Murray-Rust (1979[Domenicano, A. & Murray-Rust, P. (1979). Tetrahedron Lett. 24, 2283-2286.]). For NLO and luminescence of related compounds, see: Chen et al. (2000[Chen, H., Zhang, L., Cai, Z., Guang Yanga, G. & Chen, X. (2000). J. Chem. Soc. Dalton Trans. pp. 2463-2466.]); Bai et al. (2011[Bai, Y., Hu, X., Dang, D., Bi, F. & Niu, J. (2011). Spectrochim. Acta, 78, 70-73.]). For electric and dielectric properties of related compounds, see: Karoui et al. (2013[Karoui, S., Kamoun, S. & Jouini, A. (2013). J. Solid State Chem. 197, 60-68.]).

[Scheme 1]

Experimental

Crystal data
  • [Cd(NCS)2(C6H8N2)2]

  • Mr = 336.7

  • Monoclinic, C 2/c

  • a = 10.8704 (6) Å

  • b = 12.8983 (10) Å

  • c = 8.3362 (5) Å

  • [beta] = 106.503 (3)°

  • V = 1120.67 (13) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 2.29 mm-1

  • T = 150 K

  • 0.17 × 0.07 × 0.06 mm

Data collection
  • Bruker APEXII diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2011[Bruker (2011). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.825, Tmax = 0.872

  • 4396 measured reflections

  • 1283 independent reflections

  • 1130 reflections with I > 2[sigma](I)

  • Rint = 0.061

Refinement
  • R[F2 > 2[sigma](F2)] = 0.034

  • wR(F2) = 0.064

  • S = 1.03

  • 1283 reflections

  • 70 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.60 e Å-3

  • [Delta][rho]min = -0.58 e Å-3

Table 1
Selected bond lengths (Å)

Cd1-N1i 2.306 (3)
Cd1-N2 2.364 (3)
Cd1-S1 2.7143 (10)
Symmetry code: (i) [-x+{\script{3\over 2}}, -y+{\script{1\over 2}}, -z+1].

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N2-H2B...S1iii 0.92 2.67 3.589 (3) 173
Symmetry code: (iii) [x, -y, z-{\script{1\over 2}}].

Data collection: APEX2 (Bruker, 2011[Bruker (2011). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2011[Bruker (2011). APEX2, 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: DIAMOND (Brandenburg & Berndt, 2001[Brandenburg, K. & Berndt, M. (2001). DIAMOND. Crystal Impact, Bonn, Germany.]) and 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: WinGX (Farrugia, 2012)[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.] 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: VN2078 ).


Acknowledgements

The authors gratefully acknowledge the support of the Tunisian Ministry of Higher Education and Scientific Research.

References

Bai, Y., Hu, X., Dang, D., Bi, F. & Niu, J. (2011). Spectrochim. Acta, 78, 70-73.
Bartlett, H. E., Jurriaanse, A. & De Haas, K. (1969). Can. J. Chem. 47, 16, 2981-2986.
Blake, A. J., Champness, N. R., Khlobystov, A., Lemenovskii, D. A., Li, W.-S. & Schroder, M. (1997). Chem. Commun. pp. 2027-2028.  [CSD] [CrossRef]
Brandenburg, K. & Berndt, M. (2001). DIAMOND. Crystal Impact, Bonn, Germany.
Bruker (2011). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Chemli, R., Kamoun, S. & Roisnel, T. (2013). Acta Cryst. E69, m292-m293.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]
Chen, H., Zhang, L., Cai, Z., Guang Yanga, G. & Chen, X. (2000). J. Chem. Soc. Dalton Trans. pp. 2463-2466.  [CSD] [CrossRef]
Domenicano, A. & Murray-Rust, P. (1979). Tetrahedron Lett. 24, 2283-2286.  [CrossRef]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Fujita, M., Kwan, Y. J., Sataki, O., Yamaguchi, K. & Ogura, K. (1995). J. Am. Chem. Soc. 117, 7287-7288.  [CSD] [CrossRef] [ChemPort] [Web of Science]
Karoui, S., Kamoun, S. & Jouini, A. (2013). J. Solid State Chem. 197, 60-68.  [Web of Science] [CSD] [CrossRef] [ChemPort]
MacGillivary, L. R., Subramamian, S. & Zaworotko, M. J. (1994). J. Chem. Soc. Chem. Commun. pp. 1325-1326.
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.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Tong, M.-L., Ye, B.-H., Cai, J.-W. & Chen, X.-M. (1998). Inorg. Chem. 37, 2645-2650.  [Web of Science] [CSD] [CrossRef] [PubMed] [ChemPort]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Withersby, M. A., Blake, A. J., Champness, N. R., Hubberstey, P., Li, W.-S. & Schroder, M. (1997). Angew. Chem. Int. Ed. Engl. 36, 2327-2329.  [CSD] [CrossRef] [ChemPort] [Web of Science]
Yang, G., Zhu, H.-G., Liang, B.-H. & Chen, X.-M. (2001). J. Chem. Soc. Dalton Trans. pp. 580-585.  [CSD] [CrossRef]


Acta Cryst (2013). E69, m670-m671   [ doi:10.1107/S1600536813031255 ]

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