(Thio­cyanato-κN)bis­(thio­semicarbazide-κS)copper(I)

Jia, L.; Ma, S.; Li, D.

doi:10.1107/S1600536808013068

Volume 64
Part 6
Page m796
June 2008

Received 11 April 2008
Accepted 3 May 2008
Online 10 May 2008

Key indicators
Single-crystal X-ray study
T = 298 K
Mean (N-C) = 0.005 Å
R = 0.029
wR = 0.080
Data-to-parameter ratio = 12.5
Details

(Thiocyanato-N)bis(thiosemicarbazide-S)copper(I)

Li Jia,^a Shouxin Ma ^b and Dacheng Li ^c ^*

^aLiaoCheng Vocational and Technical College, Liaocheng, Shandong 252000, People's Republic of China,^bShandong Vocational Animal Science and Veterinary College, Weifang, Shandong 261000, People's Republic of China, and ^cSchool of Chemistry and Chemical Engineering, Liaocheng University, Shandong 252059, People's Republic of China
Correspondence e-mail: lidacheng62@lcu.edu.cn

In the title complex, [Cu(CH₅N₃S)₂(NCS)], the non-H part of the molecule is strictly planar, lying on the mirror plane at y = 0.25. The Cu atom lies at the centre of a triangle formed by the coordination of three monodentate groups, viz. two thiosemicarbazide ligands and one NCS^- anion. Weak intermolecular N-HS interactions generate a two-dimensional network.

Related literature

For related thiosemicarbazide metal complexes, see: Capacchi et al. (1968). For related literature, see: Chattopadhyay et al. (1991).

Experimental

Crystal data

[Cu(CH₅N₃S)₂(NCS)]
M_r = 303.90
Orthorhombic, P n m a
a = 11.488 (2) Å
b = 6.6085 (12) Å
c = 14.650 (3) Å
V = 1112.2 (4) Å³
Z = 4
Mo K radiation
= 2.50 mm^-1
T = 298 (2) K
0.38 × 0.27 × 0.24 mm

Data collection

Bruker SMART CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T_min = 0.44, T_max = 0.55
5593 measured reflections
1077 independent reflections
947 reflections with I > 2(I)
R_int = 0.021

Refinement

R[F² > 2(F²)] = 0.029
wR(F²) = 0.080
S = 1.05
1077 reflections
86 parameters
H-atom parameters constrained
_max = 0.67 e Å^-3
_min = -0.54 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N1-H1AS3ⁱ	0.86	2.64	3.485 (3)	167
N1-H1BN3ⁱ	0.86	2.14	2.998 (4)	177
N2-H2N7	0.86	2.24	3.093 (4)	175
N3-H3AS2ⁱⁱ	0.89	2.81	3.5481 (11)	141
N3-H3BS2ⁱⁱⁱ	0.89	2.72	3.5481 (11)	155
N4-H4AS2^iv	0.86	2.65	3.501 (3)	170
N4-H4BN7	0.86	2.32	3.161 (4)	167
N5-H5S3^v	0.86	2.64	3.342 (3)	140
N6-H6AS1^vi	0.89	2.88	3.5144 (12)	130
N6-H6BS1^vii	0.89	2.75	3.5144 (11)	144
Symmetry codes: (i) $[x-{\script{1\over 2}}, y, -z+{\script{1\over 2}}]$ ; (ii) $[-x+{\script{1\over 2}}, -y, z-{\script{1\over 2}}]$ ; (iii) $[-x+{\script{1\over 2}}, -y+1, z-{\script{1\over 2}}]$ ; (iv) $[x+{\script{1\over 2}}, y, -z+{\script{3\over 2}}]$ ; (v) $[x-{\script{1\over 2}}, y, -z+{\script{3\over 2}}]$ ; (vi) $[-x+{\script{1\over 2}}, -y, z+{\script{1\over 2}}]$ ; (vii) $[-x+{\script{1\over 2}}, -y+1, z+{\script{1\over 2}}]$ .

Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1997); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BG2183 ).

Acknowledgements

We acknowledge the Natural Science Foundation of Liaocheng University (X051002) for support.

References

Bruker (1997). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Capacchi, L. C., Gasparri, G. F., Ferrari, M. & Nardelli, M. (1968). Chem. Commun. pp. 910-911.
Chattopadhyay, D., Majumdar, S. K., Lowe, P., Schwalbe, C. H., Chattopadhyay, S. K. & Ghosh, S. (1991). Dalton Trans. pp. 2121-2124.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds