Bis(2-amino-6-methyl­pyrimidin-1-ium-4-olate-κ2 N 3,O)bis­(nitrato-κ2 O,O′)cadmium(II)

Kamel Kaabi; Meher El Glaoui; P S Pereira Silva; M Ramos Silva; Cherif Ben Nasr

doi:10.1107/S1600536810015874

. 2010 May 8;66(Pt 6):m617. doi: 10.1107/S1600536810015874

Bis(2-amino-6-methylpyrimidin-1-ium-4-olate-κ² N ³,O)bis(nitrato-κ² O,O′)cadmium(II)

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

PMCID: PMC2979534 PMID: 21579276

Abstract

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—H⋯O hydrogen bonds occur. The crystal packing is stabilized by intermolecular N—H⋯O and C—H⋯O 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,
a = 7.7230 (12) Å
b = 9.5247 (16) Å
c = 13.113 (2) Å
α = 70.198 (9)°
β = 81.954 (8)°
γ = 69.840 (8)°
V = 851.7 (2) Å³
Z = 2
Mo Kα radiation
μ = 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 > 2σ(I)
R _int = 0.072

Refinement

R[F ² > 2σ(F ²)] = 0.035
wR(F ²) = 0.084
S = 1.21
4031 reflections
244 parameters
40 restraints
H-atom parameters constrained
Δρ_max = 0.90 e Å⁻³
Δρ_min = −0.53 e Å⁻³

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 Material

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536810015874/bg2342sup1.cif

e-66-0m617-sup1.cif^{(23.5KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810015874/bg2342Isup2.hkl

e-66-0m617-Isup2.hkl^{(197.6KB, hkl)}

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

Table 1. Hydrogen-bond geometry (Å, °).

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N5—H5⋯O2Aⁱ	0.86	1.97	2.779 (3)	156
N6—H6A⋯O7	0.86	2.26	3.090 (6)	163
N6—H6B⋯O4ⁱⁱ	0.86	2.34	2.892 (4)	122
N6—H6B⋯O2Aⁱ	0.86	2.56	3.230 (5)	135
N5A—H5A⋯O2ⁱⁱⁱ	0.86	2.17	2.935 (3)	149
N6A—H6C⋯O5	0.86	2.36	3.169 (4)	157
N6A—H6D⋯O2ⁱⁱⁱ	0.86	2.25	2.996 (4)	145
N6A—H6D⋯O3^iv	0.86	2.26	2.765 (4)	117
C3—H3⋯O6^v	0.93	2.31	3.160 (5)	152
C3A—H3A⋯O8^vi	0.93	2.42	3.301 (5)	157

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Symmetry codes: (i) Inline graphic ; (ii) ; (iii) ; (iv) ; (v) ; (vi) .

Acknowledgments

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

supplementary crystallographic information

Comment

Chemists and physicists of the solid state have shown an increasing interest in the study of the metal-organic coordination compounds in recent years owing to their interesting properties such as fluorescence and dielectric behaviour. (Aminabhavi et al., 1986; Ye et al., 2008).

Here we report the synthesis and crystal structure of the title compound Cd(NO₃)₂(C₅H₇N₃O)₂. In the atomic arrangement of this material, the distorted polyhedral Cd environment contains two nitrate anions and two organic moieties. Each one of them is coordinated in the bidental mode; the Cd^II is thus eight coordinated (Fig.1), with normal bond distances and angles around the cation (Han et al., 2008). The polyhedra are interconnected by a set of N—H···O and C—H···O hydrogen bonds generated by the organic entities (Table 1). Two of the H-bonds present, N6—H6B···(O2A, O4) and N6A—H6D···(O2, O3), are bifurcated. Fig. 2 shows the results of H-bonding, in the form of undulated columns running along the c axis, laterally interlinked to form a three dimensional infinite network

Experimental

A solution of Cd(NO₃)₂ (0.1 mmol) in ethanol was added dropwise to a solution of 2-Amino-4-hydroxy-6-methylpyrimidine 0.1 mmol in ethanol. After stirring for 30 min, the mixture was filtered. Crystals suitable for X-ray analysis were obtained by evaporating the filtrate at room temperature.