[Journal logo]

Volume 64 
Part 4 
Page m581  
April 2008  

Received 9 February 2008
Accepted 10 March 2008
Online 29 March 2008


[Cited in]
[Download citation]
Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.003 Å
R = 0.031
wR = 0.087
Data-to-parameter ratio = 10.1
Details

Hexaaquazinc(II) dipicrate

S. Natarajan,a K. V. Vijitha,a S. A. Martin Britto Dhas,a J. Sureshb and P. L. Nilantha Lakshmanc*

aDepartment of Physics, Madurai Kamaraj University, Madurai 625 021, India,bDepartment of Physics, The Madura College, Madurai 625 011, India, and cDepartment of Food Science and Technology, Faculty of Agriculture, University of Ruhuna, Mapalana, Kamburupitiya 81100, Sri Lanka
Correspondence e-mail: nilanthalakshman@yahoo.co.uk

In the title compound, [Zn(H2O)6](C6H2N3O7)2, the ZnII ion is located on an inversion center and is coordinated by six water molecules in an octahedral geometry. The picrate anions have no coordination interactions with the ZnII atom. The three nitro groups are twisted away from the attached benzene ring by19.8 (3), 6.5 (4) and 28.6 (3)°. There are numerous O-H...O hydrogen bonds in the crystal structure.

Related literature

For related literature, see: Gartland et al. (1974[Gartland, G. L., Freeman, G. R. & Bugg, C. E. (1974). Acta Cryst. B30, 1841-1849.]); Herbstein et al. (1977[Herbstein, F. H., Kapon, M. & Wielinski, S. (1977). Acta Cryst. B33, 649-654.]); Liu et al. (2008[Liu, C., Shi, X., Du, B., Wu, C. & Zhang, M. (2008). Acta Cryst. E64, m270-m271.]); Maartmann-Moe (1969[Maartmann-Moe, K. (1969). Acta Cryst. B25, 1452-1460.]); Yang et al. (2001[Yang, L., Zhang, T. L., Feng, C. G., Zhang, J. G. & Yu, K. B. (2001). Energ. Mater. 9, 37-39.]).

[Scheme 1]

Experimental

Crystal data

  • [Zn(H2O)6](C6H2N3O7)2

  • Mr = 629.68

  • Triclinic, [P \overline 1]

  • a = 7.8571 (4) Å

  • b = 8.3311 (6) Å

  • c = 8.9897 (7) Å

  • [alpha] = 89.8350 (11)°

  • [beta] = 83.097 (1)°

  • [gamma] = 72.8370 (9)°

  • V = 557.84 (7) Å3

  • Z = 1

  • Mo K[alpha] radiation

  • [mu] = 1.22 mm-1

  • T = 293 (2) K

  • 0.13 × 0.11 × 0.10 mm
Data collection

  • Nonius MACH-3 diffractometer

  • Absorption correction: [psi] scan (North et al., 1968[North, A. C. T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351-359.]) Tmin = 0.854, Tmax = 0.886

  • 2441 measured reflections

  • 1971 independent reflections

  • 1908 reflections with I > 2[sigma](I)

  • Rint = 0.006

  • 2 standard reflections frequency: 60 min intensity decay: none
Refinement

  • R[F2 > 2[sigma](F2)] = 0.031

  • wR(F2) = 0.087

  • S = 1.14

  • 1971 reflections

  • 196 parameters

  • 4 restraints

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

  • [Delta][rho]max = 0.42 e Å-3

  • [Delta][rho]min = -0.71 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O3W-H3WB...O1i 0.82 (2) 2.02 (2) 2.781 (2) 153 (3)
O3W-H3WB...O2i 0.82 (2) 2.38 (3) 2.972 (3) 130 (3)
O3W-H3WA...O2ii 0.84 (2) 2.07 (2) 2.880 (3) 164 (3)
O2W-H2WB...O3ii 0.82 (2) 2.48 (3) 3.083 (3) 131 (3)
O1W-H1WA...O6iii 0.83 (4) 1.99 (4) 2.799 (3) 164 (3)
O1W-H1WB...O1iv 0.80 (4) 1.99 (4) 2.705 (2) 149 (3)
O1W-H1WB...O6iv 0.80 (4) 2.24 (4) 2.839 (2) 132 (3)
O2W-H2WB...O4v 0.82 (2) 2.22 (3) 2.931 (3) 144 (3)
O2W-H2WA...O5v 0.82 (2) 2.57 (3) 3.097 (3) 123 (3)
O2W-H2WA...O7vi 0.82 (2) 2.46 (2) 3.223 (3) 154 (3)
Symmetry codes: (i) x-1, y+1, z; (ii) -x+1, -y+1, -z+1; (iii) x, y+1, z; (iv) -x+1, -y, -z+1; (v) x, y, z+1; (vi) -x, -y, -z+1.

Data collection: CAD-4 EXPRESS (Enraf-Nonius, 1994[Enraf-Nonius (1994). CAD-4 EXPRESS. Enraf-Nonius, Delft, The Netherlands.]); cell refinement: CAD-4 EXPRESS; data reduction: XCAD4 (Harms & Wocadlo, 1996[Harms, K. & Wocadlo, S. (1996). XCAD4. University of Marburg, Germany.]); 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: PLATON (Spek, 2003[Spek, A. L. (2003). J. Appl. Cryst. 36, 7-13.]); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: CI2563 ).

Acknowledgements

The authors thank the UGC for the SAP programme and the DST for the FIST programme.

References

Enraf-Nonius (1994). CAD-4 EXPRESS. Enraf-Nonius, Delft, The Netherlands.
Gartland, G. L., Freeman, G. R. & Bugg, C. E. (1974). Acta Cryst. B30, 1841-1849.
Harms, K. & Wocadlo, S. (1996). XCAD4. University of Marburg, Germany.
Herbstein, F. H., Kapon, M. & Wielinski, S. (1977). Acta Cryst. B33, 649-654.
Liu, C., Shi, X., Du, B., Wu, C. & Zhang, M. (2008). Acta Cryst. E64, m270-m271.
Maartmann-Moe, K. (1969). Acta Cryst. B25, 1452-1460.
North, A. C. T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351-359.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Spek, A. L. (2003). J. Appl. Cryst. 36, 7-13.
Yang, L., Zhang, T. L., Feng, C. G., Zhang, J. G. & Yu, K. B. (2001). Energ. Mater. 9, 37-39.

Acta Cryst (2008). E64, m581  [ doi:10.1107/S1600536808006624 ]

This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.