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Volume 67 
Part 6 
Pages m708-m709  
June 2011  

Received 14 April 2011
Accepted 17 April 2011
Online 7 May 2011

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Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.007 Å
Disorder in main residue
R = 0.048
wR = 0.152
Data-to-parameter ratio = 17.5
Details
Open access

(N,N-Diethylnicotinamide-[kappa]N1)bis[4,4,4-trifluoro-1-(thien-2-yl)butane-1,3-dionato-[kappa]2O,O']copper(II)

Abel M. Maharramov,a Vusala I. Mardanova,a Famil Chyraqov,a Atash V. Gurbanova and Seik Weng Ngb*

aDepartment of Organic Chemistry, Baku State University, Baku, Azerbaijan, and bDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
Correspondence e-mail: seikweng@um.edu.my

In the title compound, [Cu(C8H4F3O2S)2(C10H14N2O)], the CuII atom exists in a distorted CuNO4 square-pyramidal geometry; the metal atom lies above a square plane defined by four O atoms of the two chelating anionic ligands, displaced in the direction of the axial occupant, the pyridine N atom, by 0.179 (1) Å. Weak intermolecular C-H...O and C-H...F hydrogen bonding is present in the crystal structure. One thienyl ring is disordered over two orientations in an occupancy ratio of 0.69 (1):0.31.

Related literature

For the related crystal structure of bis[4,4,4-trifluoro-1-(thien-2-yl)butane-1,3-dionato]copper(II), see: Lecomte et al. (1988[Lecomte, C., Bayeul, D., Senglet, N. & Guilard, R. (1988). Polyhedron, 7, 303-306.]); Wang et al. (1996[Wang, D.-M., Yang, R.-N., Hu, Y.-M. & Jin, D.-M. (1996). Chin. J. Struct. Chem. 15, 3327-3329.]); Xu et al. (2010[Xu, D.-F., Shen, Z.-H., Shi, Y., He, Q. & Xia, Q.-C. (2010). Russ. J. Coord. Chem. 36, 458-462.]). For some adducts with N-heterocycles, see: Gou et al. (1991[Gou, S.-H., You, X.-Z., Xu, Z., Zhou, Z.-Y., Yu, K.-B., Yu, Y.-P. & Zhu, D.-L. (1991). Acta Cryst. C47, 1303-1305.]); Li et al. (1994[Li, M.-X., Xu, Z., You, X.-Z. & Chen, C.-G. (1994). Acta Cryst. C50, 1699-1701.]); Liu et al. (1986[Liu, X.-S., Lin, C.-C., Xu, Z., Yu, Y.-P. & You, X.-Z. (1986). Chin. J. Struct. Chem. 5, 135-138.]); Yu et al. (1988[Yu, Y.-P., Xu, Z., You, X.-Z., Lu, J.-N., Shi, S., Liu, S.-X. & Lin, C.-C. (1988). Chin. J. Inorg. Chem. 4, 30-34.]).

[Scheme 1]

Experimental

Crystal data

  • [Cu(C8H4F3O2S)2(C10H14N2O)]

  • Mr = 684.12

  • Triclinic, [P \overline 1]

  • a = 11.4324 (5) Å

  • b = 12.8606 (5) Å

  • c = 13.0104 (5) Å

  • [alpha] = 62.837 (1)°

  • [beta] = 64.110 (1)°

  • [gamma] = 88.783 (1)°

  • V = 1492.72 (10) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 0.95 mm-1

  • T = 293 K

  • 0.30 × 0.30 × 0.30 mm
Data collection

  • Bruker APEXII diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.618, Tmax = 0.746

  • 16434 measured reflections

  • 6849 independent reflections

  • 5423 reflections with I > 2[sigma](I)

  • Rint = 0.021
Refinement

  • R[F2 > 2[sigma](F2)] = 0.048

  • wR(F2) = 0.152

  • S = 1.05

  • 6849 reflections

  • 392 parameters

  • 80 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.80 e Å-3

  • [Delta][rho]min = -0.48 e Å-3

Table 1
Selected bond lengths (Å)

Cu1-O1 1.9432 (19)
Cu1-O2 1.942 (2)
Cu1-O3 1.944 (2)
Cu1-O4 1.934 (2)
Cu1-N1 2.262 (2)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C1-H1...O5i 0.93 2.49 3.358 (7) 156
C19-H19...O5ii 0.93 2.56 3.338 (6) 141
C24-H24C...F1iii 0.96 2.36 3.233 (13) 151
Symmetry codes: (i) -x+1, -y+2, -z+1; (ii) -x, -y+2, -z+1; (iii) -x, -y+1, -z+2.

Data collection: APEX2 (Bruker, 2005[Bruker (2005). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2005[Bruker (2005). APEX2 and SAINT. 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: X-SEED (Barbour, 2001[Barbour, L. J. (2001). J. Supramol. Chem. 1, 189-191.]); software used to prepare material for publication: 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: XU5194 ).

Acknowledgements

We thank Baku State University and the University of Malaya for supporting this study.

References

Barbour, L. J. (2001). J. Supramol. Chem. 1, 189-191.  [CrossRef] [ChemPort]
Bruker (2005). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Gou, S.-H., You, X.-Z., Xu, Z., Zhou, Z.-Y., Yu, K.-B., Yu, Y.-P. & Zhu, D.-L. (1991). Acta Cryst. C47, 1303-1305.  [CrossRef] [details]
Lecomte, C., Bayeul, D., Senglet, N. & Guilard, R. (1988). Polyhedron, 7, 303-306.  [ChemPort]
Li, M.-X., Xu, Z., You, X.-Z. & Chen, C.-G. (1994). Acta Cryst. C50, 1699-1701.  [CrossRef] [details]
Liu, X.-S., Lin, C.-C., Xu, Z., Yu, Y.-P. & You, X.-Z. (1986). Chin. J. Struct. Chem. 5, 135-138.  [ChemPort]
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Wang, D.-M., Yang, R.-N., Hu, Y.-M. & Jin, D.-M. (1996). Chin. J. Struct. Chem. 15, 3327-3329.
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [ISI] [CrossRef] [ChemPort] [details]
Xu, D.-F., Shen, Z.-H., Shi, Y., He, Q. & Xia, Q.-C. (2010). Russ. J. Coord. Chem. 36, 458-462.  [ChemPort]
Yu, Y.-P., Xu, Z., You, X.-Z., Lu, J.-N., Shi, S., Liu, S.-X. & Lin, C.-C. (1988). Chin. J. Inorg. Chem. 4, 30-34.  [ChemPort]

Acta Cryst (2011). E67, m708-m709   [ doi:10.1107/S1600536811014401 ]

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