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Volume 69 
Part 2 
Page m89  
February 2013  

Received 17 December 2012
Accepted 23 December 2012
Online 9 January 2013

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.003 Å
R = 0.032
wR = 0.088
Data-to-parameter ratio = 12.4
Details
Open access

Bis(2,2',2''-nitrilotriacetamide-[kappa]3O,N,O')nickel(II) dinitrate tetrahydrate

aInstitute of Economic Crops, Hubei Academy of Agricultural Science, Wuhan 430064, People's Republic of China
Correspondence e-mail: xhdengyy@yahoo.com.cn

In the title compound, [Ni(C6H12N4O3)2](NO3)2·4H2O, the NiII cation is located on an inversion center and is N,O,O'-chelated by two nitrilotris(acetamide) molecules in a distorted octahedral geometry. The complex cations, nitrate anions and lattice water molecules are connected by O-H...O and N-H...O hydrogen bonds, forming a three-dimensional supramolecular structure.

Related literature

For related metal complexes, see: Niraj et al. (2012[Niraj, K., Benzamin, D. W., Sanjib, K. & Lallan, M. (2012). Polyhedron, 33, 425-434.]); Biswajit et al. (2009[Biswajit, D., Somnath, R. C., Eringathodi, S., Atish, D. J. & Subrata, M. (2009). J. Mol. Struct. 921, 268-273.]); Ben Amor et al. (1998[Ben Amor, F., Bourguiba, N., Driss, A. & Jouini, T. (1998). Acta Cryst. C54, 197-199.]). For the synthesis of the ligand, see: Donald & George (1974[Donald, H. T. & George, C. H. (1974). US patent No. 3799981.]).

[Scheme 1]

Experimental

Crystal data
  • [Ni(C6H12N4O3)2](NO3)2·4H2O

  • Mr = 631.17

  • Triclinic, [P \overline 1]

  • a = 8.557 (7) Å

  • b = 9.212 (8) Å

  • c = 9.367 (8) Å

  • [alpha] = 91.180 (14)°

  • [beta] = 96.215 (14)°

  • [gamma] = 111.136 (14)°

  • V = 683.2 (10) Å3

  • Z = 1

  • Mo K[alpha] radiation

  • [mu] = 0.80 mm-1

  • T = 296 K

  • 0.42 × 0.38 × 0.33 mm

Data collection
  • Bruker SMART 1000 CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2001[Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.731, Tmax = 0.779

  • 3732 measured reflections

  • 2352 independent reflections

  • 2219 reflections with I > 2[sigma](I)

  • Rint = 0.014

Refinement
  • R[F2 > 2[sigma](F2)] = 0.032

  • wR(F2) = 0.088

  • S = 1.05

  • 2352 reflections

  • 190 parameters

  • 6 restraints

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

  • [Delta][rho]max = 0.31 e Å-3

  • [Delta][rho]min = -0.24 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N2-H2A...O8i 0.86 2.14 2.988 (3) 169
N2-H2B...O6ii 0.86 2.19 3.027 (4) 165
N3-H3A...O4iii 0.86 2.28 3.056 (4) 150
N3-H3B...O3ii 0.86 1.99 2.848 (3) 173
N4-H4A...O7iv 0.86 2.22 3.002 (3) 152
N4-H4B...O7 0.86 2.32 3.068 (4) 145
O7-H7A...O4 0.87 (2) 2.08 (2) 2.913 (4) 162 (3)
O7-H7B...O8v 0.87 (2) 1.98 (2) 2.843 (3) 174 (4)
O8-H8A...O1iii 0.86 (2) 2.18 (2) 3.018 (3) 165 (3)
O8-H8B...O4 0.86 (2) 2.19 (2) 2.999 (4) 157 (3)
O8-H8B...O6 0.86 (2) 2.40 (3) 3.107 (4) 141 (3)
Symmetry codes: (i) x+1, y, z+1; (ii) -x+1, -y, -z+2; (iii) -x+1, -y+1, -z+2; (iv) -x+1, -y, -z+1; (v) -x+1, -y+1, -z+1.

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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: XU5668 ).


Acknowledgements

This research was supported by the International Cooperation Special Fund of the Ministry of Science and Technology, China (No. 2011DFB31620). We are grateful to Professor Dr S.-M. Qiu of Hubei Academy of Agricultural Science for his valuable suggestions.

References

Ben Amor, F., Bourguiba, N., Driss, A. & Jouini, T. (1998). Acta Cryst. C54, 197-199.  [CSD] [CrossRef] [details]
Biswajit, D., Somnath, R. C., Eringathodi, S., Atish, D. J. & Subrata, M. (2009). J. Mol. Struct. 921, 268-273.
Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Donald, H. T. & George, C. H. (1974). US patent No. 3799981.
Niraj, K., Benzamin, D. W., Sanjib, K. & Lallan, M. (2012). Polyhedron, 33, 425-434.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]


Acta Cryst (2013). E69, m89  [ doi:10.1107/S160053681205177X ]

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