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Volume 69 
Part 5 
Pages m292-m293  
May 2013  

Received 13 April 2013
Accepted 19 April 2013
Online 27 April 2013

Key indicators
Single-crystal X-ray study
T = 150 K
Mean [sigma](C-C) = 0.003 Å
R = 0.025
wR = 0.055
Data-to-parameter ratio = 18.5
Details
Open access

catena-Poly[[bis(2-methoxyaniline-[kappa]N)cadmium]-di-[mu]-thiocyanato-[kappa]2N:S;[kappa]2S:N]

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 Unitée Sciences, Chimiques de Rennes, Université de Rennes I, 263 Avenue du Général Leclerc, 35042 Rennes, France
Correspondence e-mail: slah.kamoun@gmail.com

The structure of the title compound, [Cd(NCS)2(C7H9NO)2]n, consists of cadmium-thiocyanate layers parallel to the ab plane. Pairs of CdII ions are bridged by two end-to-end inversely bridging [mu]-NCS-N:S thiocyanate groups, forming a two-dimensional network with the remaining two trans positions of the octahedrally coordinated CdII ions occupied by the N atoms of two neutral 2-methoxyaniline ligands. The crystal structure is stabilized by intralayer N-H...S hydrogen bonds.

Related literature

For related structures, see: Wöhlert et al. (2012[Wöhlert, S., Boeckmann, J., Jess, I. & Näther, C. (2012). CrystEngComm, 14, 5412-5420.], 2013[Wöhlert, S., Jess, I. & Näther, C. (2013). Z. Anorg. Allg. Chem. 639, 385-391.]); Bai et al. (2011[Bai, Y., Hu, X., Dang, D., Bi, F. & Niu, J. (2011). Spectrochim. Acta, 78, 70-73.]); Yang et al. (2001[Yang, G., Zhu, H., Liang, B. & Chen, X. (2001). J. Chem. Soc. Dalton Trans. pp. 580-585.]). For HSCN synthesis, see: Bartlett et al. (1969[Bartlett, H. E., Jurriaanse, A. & De Haas, K. (1969). Can. J. Chem. 47, 2981-2986.]). For the effects of substituents on the internal angles of the benzene ring, see: Domenicano & Murray-Rust (1979[Domenicano, A. & Murray-Rust, P. (1979). Tetrahedron Lett. 24, 2283-2286.]). For non-linear optical and luminescence properties 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(C7H9NO)2]

  • Mr = 474.89

  • Orthorhombic, P b c a

  • a = 6.6860 (2) Å

  • b = 23.3658 (7) Å

  • c = 24.3281 (8) Å

  • V = 3800.6 (2) Å3

  • Z = 8

  • Mo K[alpha] radiation

  • [mu] = 1.39 mm-1

  • T = 150 K

  • 0.33 × 0.18 × 0.11 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 = 0.741, Tmax = 0.859

  • 16897 measured reflections

  • 4210 independent reflections

  • 3262 reflections with I > 2[sigma](I)

  • Rint = 0.031

Refinement
  • R[F2 > 2[sigma](F2)] = 0.025

  • wR(F2) = 0.055

  • S = 1.02

  • 4210 reflections

  • 228 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.35 e Å-3

  • [Delta][rho]min = -0.38 e Å-3

Table 1
Selected bond lengths (Å)

Cd1-N2 2.2724 (19)
Cd1-N1 2.3142 (18)
Cd1-N11 2.3653 (17)
Cd1-N21 2.3718 (17)
Cd1-S1i 2.7306 (6)
Cd1-S2ii 2.7449 (6)
Symmetry codes: (i) -x+2, -y, -z+1; (ii) [x-{\script{1\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
N11-H11A...S2iii 0.92 2.50 3.4182 (17) 174
N21-H21B...S1iv 0.92 2.66 3.5637 (18) 169
Symmetry codes: (iii) [x+{\script{1\over 2}}, -y+{\script{1\over 2}}, -z+1]; (iv) -x+1, -y, -z+1.

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: RZ5058 ).


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, 2981-2986.  [CrossRef] [ChemPort]
Brandenburg, K. & Berndt, M. (2001). DIAMOND. Crystal Impact, Bonn, Germany.
Bruker (2011). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
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.  [ISI] [CrossRef] [ChemPort] [details]
Karoui, S., Kamoun, S. & Jouini, A. (2013). J. Solid State Chem. 197, 60-68.  [ISI] [CrossRef] [ChemPort]
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]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [details]
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [ISI] [CrossRef] [ChemPort] [details]
Wöhlert, S., Boeckmann, J., Jess, I. & Näther, C. (2012). CrystEngComm, 14, 5412-5420.
Wöhlert, S., Jess, I. & Näther, C. (2013). Z. Anorg. Allg. Chem. 639, 385-391.
Yang, G., Zhu, H., Liang, B. & Chen, X. (2001). J. Chem. Soc. Dalton Trans. pp. 580-585.  [CSD] [CrossRef]


Acta Cryst (2013). E69, m292-m293   [ doi:10.1107/S1600536813010738 ]

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