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Volume 64 
Part 8 
Page m993  
August 2008  

Received 15 June 2008
Accepted 30 June 2008
Online 5 July 2008

[bq2086sup1]
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Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.005 Å
R = 0.050
wR = 0.130
Data-to-parameter ratio = 16.2
Details
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catena-Poly[[bis(3-benzoylpyridine-[kappa]N)zinc(II)]-di-[mu]-dicyanamido-[kappa]4N1:N5]

Fei Yu,a Zhong-Shu Lia and Bai-Wang Suna*

aOrdered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China
Correspondence e-mail: chmsunbw@seu.edu.cn

The title compound, [Zn(C2N3)2(C12H9NO)2]n, is a polymeric zinc(II) complex with the metal ion located on an inversion centre. The ZnII ion is six-coordinated by two N atoms of two 3-benzoylpyridine ligands and four N atoms from four dicyanamide ligands, forming a slightly distorted octahedral configuration. In the crystal structure, neighboring Zn atoms are linked together by double dicyanamide bridges to form a polymeric zinc(II) complex.

Related literature

For related literature, see: Armentano et al. (2006[Armentano, D., De Munno, G., Guerra, F., Julve, M. & Lloret, F. (2006). Inorg. Chem. 45, 4626-4636.]); Claramunt et al. (2000[Claramunt, A., Escuer, A., Mautner, F. A., Sanz, N. & Vicente, R. (2000). J. Chem. Soc. Dalton Trans. pp. 2627-2630.]); Manson et al. (1998[Manson, J. L., Lee, D. W., Rheingold, A. L. & Miller, J. S. (1998). Inorg. Chem. 37, 5966-5967.]); Miller (2006[Miller, J. S. (2006). Pramana, 67, 1-16.]).

[Scheme 1]

Experimental

Crystal data

  • [Zn(C2N3)2(C12H9NO)2]

  • Mr = 563.89

  • Monoclinic, P 21 /c

  • a = 6.463 (4) Å

  • b = 7.490 (4) Å

  • c = 26.300 (15) Å

  • [beta] = 98.399 (16)°

  • V = 1259.5 (13) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.02 mm-1

  • T = 293 (2) K

  • 0.07 × 0.04 × 0.03 mm
Data collection

  • Rigaku Scxmini 1K CCD area-detector diffractometer

  • Absorption correction: multi-scan (CrystalClear; Rigaku, 2005[Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.867, Tmax = 1.000 (expected range = 0.841-0.970)

  • 12079 measured reflections

  • 2880 independent reflections

  • 2342 reflections with I > 2[sigma](I)

  • Rint = 0.045
Refinement

  • R[F2 > 2[sigma](F2)] = 0.050

  • wR(F2) = 0.129

  • S = 1.09

  • 2880 reflections

  • 178 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.60 e Å-3

  • [Delta][rho]min = -0.56 e Å-3

Table 1
Selected geometric parameters (Å, °)

Zn1-N2 2.162 (3)
Zn1-N3 2.169 (2)
Zn1-N4 2.172 (3)
N2-Zn1-N3 92.27 (11)
N2-Zn1-N4 90.79 (9)
N3-Zn1-N4 89.87 (9)

Data collection: CrystalClear (Rigaku, 2005[Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.]); cell refinement: CrystalClear; data reduction: CrystalClear ; 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BQ2086 ).

References

Armentano, D., De Munno, G., Guerra, F., Julve, M. & Lloret, F. (2006). Inorg. Chem. 45, 4626-4636.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Claramunt, A., Escuer, A., Mautner, F. A., Sanz, N. & Vicente, R. (2000). J. Chem. Soc. Dalton Trans. pp. 2627-2630.  [CSD] [CrossRef]
Manson, J. L., Lee, D. W., Rheingold, A. L. & Miller, J. S. (1998). Inorg. Chem. 37, 5966-5967.  [ISI] [CrossRef] [PubMed] [ChemPort]
Miller, J. S. (2006). Pramana, 67, 1-16.  [CrossRef] [ChemPort]
Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]

Acta Cryst (2008). E64, m993  [ doi:10.1107/S1600536808019880 ]

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