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Volume 64 
Part 2 
Page m266  
February 2008  

Received 22 November 2007
Accepted 17 December 2007
Online 4 January 2008

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© International Union of Crystallography 2008

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.004 Å
R = 0.029
wR = 0.082
Data-to-parameter ratio = 15.2
Details
Open access

Diaquabis(9-oxo-4,5-diazafluoren-3-olato-[kappa]2N4,O3)cadmium(II)

Ya-Hui Zhao,a Xing Yuan,a* Wei-Chao Qin,a Lian-Xi Shenga* and Yun-Zheng Dinga

aDepartment of Environment Science, Northeast Normal University, Changchun 130024, People's Republic of China
Correspondence e-mail: yuanx@nenu.edu.cn, shenglx@nenu.edu.cn

The title compound, [Cd(C11H5N2O2)2(H2O)2], is a mononuclear complex consisting of a CdII atom, two 3-hydroxy-4,5-diazafluoren-9-one ligands and two coordinated water molecules. The CdII atom, lying on a twofold axis, displays a distorted octahedral coordintion. Adjacent molecules are linked by O-H...O hydrogen bonds and [pi]-[pi] interactions [centroid-centroid distance = 3.84 (1) Å], leading to a one-dimensional chain. Weak C-H...O hydrogen bonds connect the chains into a two-dimensional supramolecular structure.

Related literature

For related literature, see: Li et al. (2006[Li, Z.-F., Wang, C.-X. & Du, C.-X. (2006). Acta Cryst. C62, m488-m490.]); Rillema et al. (2007[Rillema, D. P., Kirgan, R. & Moore, C. (2007). Acta Cryst. E63, o3740.]); Tershansy et al. (2006[Tershansy, M. A., Goforth, A. M., Smith, M. D., Peterson, L. R. Jr & zur Loye, H.-C. (2006). Acta Cryst. E62, m3269-m3271.]); Zhao et al. (2006[Zhao, Q. H., Wang, L., Wang, K. M. & Fang, R. B. (2006). Chin. J. Inorg. Chem. 22, 1285-1288.]).

[Scheme 1]

Experimental

Crystal data

  • [Cd(C11H5N2O2)2(H2O)2]

  • Mr = 542.77

  • Monoclinic, C 2/c

  • a = 28.190 (5) Å

  • b = 5.572 (4) Å

  • c = 13.933 (5) Å

  • [beta] = 110.622 (5)°

  • V = 2048.3 (17) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.12 mm-1

  • T = 293 (2) K

  • 0.26 × 0.21 × 0.17 mm
Data collection

  • Rigaku R-AXIS RAPID diffractometer

  • Absorption correction: multi-scan (ABSCOR; Higashi, 1995[Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.760, Tmax = 0.833

  • 5972 measured reflections

  • 2406 independent reflections

  • 1965 reflections with I > 2[sigma](I)

  • Rint = 0.021
Refinement

  • R[F2 > 2[sigma](F2)] = 0.029

  • wR(F2) = 0.082

  • S = 1.02

  • 2406 reflections

  • 158 parameters

  • 2 restraints

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

  • [Delta][rho]max = 0.62 e Å-3

  • [Delta][rho]min = -0.36 e Å-3

Table 1
Selected geometric parameters (Å, °)

Cd1-O1 2.233 (2)
Cd1-N1 2.3217 (19)
Cd1-O2 2.410 (2)
O1-Cd1-O1i 101.59 (13)
O1-Cd1-N1i 92.77 (7)
O1-Cd1-N1 105.03 (8)
N1i-Cd1-N1 151.82 (11)
O1-Cd1-O2 94.62 (9)
O1i-Cd1-O2 148.19 (7)
N1i-Cd1-O2 101.27 (7)
N1-Cd1-O2 56.38 (7)
O2-Cd1-O2i 85.23 (11)
Symmetry code: (i) [-x+2, y, -z+{\script{1\over 2}}].

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1-H1A...N2i 0.82 (2) 2.02 (2) 2.832 (3) 172 (3)
O1-H1B...O2ii 0.83 (2) 1.86 (2) 2.686 (3) 170 (4)
C3-H3...O3iii 0.93 2.48 3.351 (5) 156
Symmetry codes: (i) [-x+2, y, -z+{\script{1\over 2}}]; (ii) x, y+1, z; (iii) [-x+{\script{3\over 2}}, -y-{\script{1\over 2}}, -z].

Data collection: PROCESS-AUTO (Rigaku, 1998[Rigaku (1998). PROCESS-AUTO. Rigaku Corporation, Tokyo, Japan.]); cell refinement: PROCESS-AUTO; data reduction: PROCESS-AUTO; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997[Sheldrick, G. M. (1997). SHELXS97 and SHELXL97. University of Göttingen, Germany.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997[Sheldrick, G. M. (1997). SHELXS97 and SHELXL97. University of Göttingen, Germany.]); molecular graphics: SHELXTL-Plus (Siemens, 1990[Siemens (1990). SHELXTL-Plus. Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA.]); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HY2109 ).

Acknowledgements

The authors thank the Key Project of the Chinese Ministry of Education (grant No. 308008) and the Analysis and Testing Foundation of Northeast Normal University for financial support.

References

Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Li, Z.-F., Wang, C.-X. & Du, C.-X. (2006). Acta Cryst. C62, m488-m490.  [CrossRef] [details]
Rigaku (1998). PROCESS-AUTO. Rigaku Corporation, Tokyo, Japan.
Rillema, D. P., Kirgan, R. & Moore, C. (2007). Acta Cryst. E63, o3740.  [CrossRef] [details]
Sheldrick, G. M. (1997). SHELXS97 and SHELXL97. University of Göttingen, Germany.
Siemens (1990). SHELXTL-Plus. Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA.
Tershansy, M. A., Goforth, A. M., Smith, M. D., Peterson, L. R. Jr & zur Loye, H.-C. (2006). Acta Cryst. E62, m3269-m3271.  [CrossRef] [details]
Zhao, Q. H., Wang, L., Wang, K. M. & Fang, R. B. (2006). Chin. J. Inorg. Chem. 22, 1285-1288.  [ChemPort]

Acta Cryst (2008). E64, m266  [ doi:10.1107/S1600536807067323 ]