Bis(2,2′,2′′-nitrilo­triacetamide-κ3O,N,O′)nickel(II) dinitrate tetra­hydrate

Deng, X.-H.; Nie, Q.-J.; Zhu, F.-J.

doi:10.1107/S160053681205177X

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 (C-C) = 0.003 Å
R = 0.032
wR = 0.088
Data-to-parameter ratio = 12.4
Details

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

Xiao-Hui Deng,^a ^* Qi-Jun Nie ^a and Feng-Juan Zhu ^a

^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 Ni^II 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-HO and N-HO hydrogen bonds, forming a three-dimensional supramolecular structure.

Related literature

For related metal complexes, see: Niraj et al. (2012); Biswajit et al. (2009); Ben Amor et al. (1998). For the synthesis of the ligand, see: Donald & George (1974).

Experimental

Crystal data

[Ni(C₆H₁₂N₄O₃)₂](NO₃)₂·4H₂O
M_r = 631.17
Triclinic, $[P \overline 1]$
a = 8.557 (7) Å
b = 9.212 (8) Å
c = 9.367 (8) Å
= 91.180 (14)°
= 96.215 (14)°
= 111.136 (14)°
V = 683.2 (10) Å³
Z = 1
Mo K radiation
= 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) T_min = 0.731, T_max = 0.779
3732 measured reflections
2352 independent reflections
2219 reflections with I > 2(I)
R_int = 0.014

Refinement

R[F² > 2(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
_max = 0.31 e Å^-3
_min = -0.24 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N2-H2AO8ⁱ	0.86	2.14	2.988 (3)	169
N2-H2BO6ⁱⁱ	0.86	2.19	3.027 (4)	165
N3-H3AO4ⁱⁱⁱ	0.86	2.28	3.056 (4)	150
N3-H3BO3ⁱⁱ	0.86	1.99	2.848 (3)	173
N4-H4AO7^iv	0.86	2.22	3.002 (3)	152
N4-H4BO7	0.86	2.32	3.068 (4)	145
O7-H7AO4	0.87 (2)	2.08 (2)	2.913 (4)	162 (3)
O7-H7BO8^v	0.87 (2)	1.98 (2)	2.843 (3)	174 (4)
O8-H8AO1ⁱⁱⁱ	0.86 (2)	2.18 (2)	3.018 (3)	165 (3)
O8-H8BO4	0.86 (2)	2.19 (2)	2.999 (4)	157 (3)
O8-H8BO6	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); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT ; program(s) used to solve structure: SHELXTL (Sheldrick, 2008); 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.
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.

metal-organic compounds

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