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Volume 66 
Part 4 
Page m357  
April 2010  

Received 22 January 2010
Accepted 24 February 2010
Online 3 March 2010

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Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.003 Å
R = 0.023
wR = 0.064
Data-to-parameter ratio = 12.3
Details
Open access

catena-Poly[copper(II)-bis([mu]-3-cyano-2-hydroxypropionato)-[kappa]3N:O1,O2;[kappa]3O1,O2:N-copper(II)]

Ji-Dong Wanga,b and Shu-Min Hana,c*

aCollege of Environmental and Chemical Engineering, Yanshan University, Qinhuangdao 066004, People's Republic of China,bCollege of Information Technology and Engineering, Yanshan University, Qinhuangdao 066004, People's Republic of China, and cState Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, People's Republic of China
Correspondence e-mail: JDWangYsu@gmail.com

The title compound, [Cu(C4H4NO3)2]n, exhibits a double-chain structure extending along [100]. The CuII atom, lying on an inversion center, is coordinated by two cyano N atoms from two 3-cyano-2-hydroxypropionate ligands and two hydroxy O atoms and two carboxylate O atom from two other two ligands in a distorted octahedral geometry. Intermolecular C-H...O and O-H...O hydrogen bonds connect the chains into a three-dimensional structure.

Related literature

For the synthesis and studies of [beta]-hydroxynitriles, see: Conti et al. (2003[Conti, D., Rodriquez, M., Sega, A. & Taddei, M. (2003). Tetrahedron Lett. 44, 5327-5330.]); Seo et al. (1994[Seo, M.-H., Lee, Y.-Y. & Goo, Y.-M. (1994). Synth. Commun. 24, 1433-1439.]). For related structures, see: Klein et al. (1982[Klein, C. L., Majeste, R. J., Trefonas, L. M. & O'Connor, C. J. (1982). Inorg. Chem. 21, 1891-1897.]); Wang et al. (2009[Wang, G.-H., Li, Z.-G., Jia, H.-Q., Hu, N.-H. & Xu, J.-W. (2009). CrystEngComm, 11, 292-297.]).

[Scheme 1]

Experimental

Crystal data

  • [Cu(C4H4NO3)2]

  • Mr = 291.71

  • Monoclinic, P 21 /c

  • a = 6.3704 (7) Å

  • b = 8.4382 (10) Å

  • c = 10.0412 (12) Å

  • [beta] = 104.492 (2)°

  • V = 522.59 (11) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 2.11 mm-1

  • T = 293 K

  • 0.28 × 0.19 × 0.12 mm
Data collection

  • Bruker SMART APEX CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.624, Tmax = 0.776

  • 2803 measured reflections

  • 1031 independent reflections

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

  • Rint = 0.017
Refinement

  • R[F2 > 2[sigma](F2)] = 0.023

  • wR(F2) = 0.064

  • S = 1.11

  • 1031 reflections

  • 83 parameters

  • 1 restraint

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 0.32 e Å-3

  • [Delta][rho]min = -0.27 e Å-3

Table 1
Selected bond lengths (Å)

Cu1-O2 1.9159 (12)
Cu1-O1 1.9579 (11)
Cu1-N1i 2.545 (2)
Symmetry code: (i) x-1, y, z.

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C1-H1...O2ii 0.98 2.54 3.240 (2) 128
O1-H1W...O3ii 0.83 (2) 1.75 (2) 2.560 (2) 165 (4)
Symmetry code: (ii) [x, -y+{\script{1\over 2}}, z+{\script{1\over 2}}].

Data collection: SMART (Bruker, 2007[Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). SMART 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]) and Mercury (Macrae et al., 2006[Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst. 39, 453-457.]); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HY2278 ).

References

Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Conti, D., Rodriquez, M., Sega, A. & Taddei, M. (2003). Tetrahedron Lett. 44, 5327-5330.  [ISI] [CrossRef] [ChemPort]
Klein, C. L., Majeste, R. J., Trefonas, L. M. & O'Connor, C. J. (1982). Inorg. Chem. 21, 1891-1897.  [CrossRef] [ChemPort] [ISI]
Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst. 39, 453-457.  [ISI] [CrossRef] [ChemPort] [details]
Seo, M.-H., Lee, Y.-Y. & Goo, Y.-M. (1994). Synth. Commun. 24, 1433-1439.  [CrossRef] [ChemPort] [ISI]
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Wang, G.-H., Li, Z.-G., Jia, H.-Q., Hu, N.-H. & Xu, J.-W. (2009). CrystEngComm, 11, 292-297.  [ISI] [CSD] [CrossRef] [ChemPort]

Acta Cryst (2010). E66, m357  [ doi:10.1107/S1600536810007129 ]

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