Bis(2-amino-6-methyl­pyrimidin-1-ium-4-olate-κ2N3,O)bis­(nitrato-κ2O,O′)cadmium(II)

Kaabi, K.; El Glaoui, M.; Pereira Silva, P.S.; Ramos Silva, M.; Ben Nasr, C.

doi:10.1107/S1600536810015874

Volume 66
Part 6
Page m617
June 2010

Received 6 April 2010
Accepted 29 April 2010
Online 8 May 2010

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
R = 0.035
wR = 0.084
Data-to-parameter ratio = 16.5
Details

Bis(2-amino-6-methylpyrimidin-1-ium-4-olate-²N³,O)bis(nitrato-²O,O')cadmium(II)

Kamel Kaabi,^a Meher El Glaoui,^a P. S. Pereira Silva,^b M. Ramos Silva ^b and Cherif Ben Nasr ^a ^*

^aLaboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, 7021 Zarzouna, Tunisia, and ^bCEMDRX, Physics Department, University of Coimbra, P-3004-516 Coimbra, Portugal
Correspondence e-mail: cherif_bennasr@yahoo.fr

In the title compound, [Cd(NO₃)₂(C₅H₇N₃O)₂], the Cd^II atom is eight-coordinated by two amine N atoms and two O atoms from two zwitterionic, biodentate 2-amino-6-methylpyrimidin-1-ium-4-olate ligands and by four O atoms from two nitrate groups. Intramolecular N-HO hydrogen bonds occur. The crystal packing is stabilized by intermolecular N-HO and C-HO hydrogen bonds, two of which are bifurcated, between the nitrate anions and the organic groups.

Related literature

For common applications of this material, see: Aminabhavi et al. (1986); Ye et al. (2008). For the geometry around the Cd atom, see: Han et al. (2008).

Experimental

Crystal data

[Cd(NO₃)₂(C₅H₇N₃O)₂]
M_r = 486.69
Triclinic, $[P \overline 1]$
a = 7.7230 (12) Å
b = 9.5247 (16) Å
c = 13.113 (2) Å
= 70.198 (9)°
= 81.954 (8)°
= 69.840 (8)°
V = 851.7 (2) Å³
Z = 2
Mo K radiation
= 1.34 mm^-1
T = 293 K
0.46 × 0.26 × 0.12 mm

Data collection

Bruker APEXII CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 2003) T_min = 0.455, T_max = 0.851
17615 measured reflections
4031 independent reflections
3603 reflections with I > 2(I)
R_int = 0.072

Refinement

R[F² > 2(F²)] = 0.035
wR(F²) = 0.084
S = 1.21
4031 reflections
244 parameters
40 restraints
H-atom parameters constrained
_max = 0.90 e Å^-3
_min = -0.53 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N5-H5O2Aⁱ	0.86	1.97	2.779 (3)	156
N6-H6AO7	0.86	2.26	3.090 (6)	163
N6-H6BO4ⁱⁱ	0.86	2.34	2.892 (4)	122
N6-H6BO2Aⁱ	0.86	2.56	3.230 (5)	135
N5A-H5AO2ⁱⁱⁱ	0.86	2.17	2.935 (3)	149
N6A-H6CO5	0.86	2.36	3.169 (4)	157
N6A-H6DO2ⁱⁱⁱ	0.86	2.25	2.996 (4)	145
N6A-H6DO3^iv	0.86	2.26	2.765 (4)	117
C3-H3O6^v	0.93	2.31	3.160 (5)	152
C3A-H3AO8^vi	0.93	2.42	3.301 (5)	157
Symmetry codes: (i) -x+1, -y+1, -z; (ii) -x, -y+1, -z; (iii) -x+1, -y, -z+1; (iv) -x, -y, -z+1; (v) x+1, y-1, z; (vi) x+1, y, z.

Data collection: APEX2 (Bruker, 2003); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: PLATON (Spek, 2009); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BG2342 ).

Acknowledgements

This work was supported by the Fundação para a Ciência e a Tecnologia (FCT), under scholarship SFRH/BD/38387/2008.

References

Aminabhavi, T. M., Biradar, N. S. & Patil, S. B. (1986). Inorg. Chim. Acta, 125, 125-128.
Bruker (2003). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Han, T.-T., Ma, J.-F., Zhang, L.-P. & Li, Q.-J. (2008). Acta Cryst. E64, m322.
Sheldrick, G. M. (2003). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Spek, A. L. (2009). Acta Cryst. D65, 148-155.
Ye, Q., Zhao, H., Qu, Z.-R., Ye, H.-Y. & Xiong, R.-G. (2008). Chem. Soc. Rev. 37, 84-100.