Bis(2-amino­pyrimidine-κN 1)aqua­(nitrato-κO)(nitrato-κ2 O,O′)zinc(II)

Shan Gao; Seik Weng Ng

doi:10.1107/S1600536810036731

. 2010 Sep 18;66(Pt 10):m1279. doi: 10.1107/S1600536810036731

Bis(2-aminopyrimidine-κN ¹)aqua(nitrato-κO)(nitrato-κ² O,O′)zinc(II)

Shan Gao ^a, Seik Weng Ng ^b,^*

PMCID: PMC2983322 PMID: 21587423

Abstract

The water-coordinated Zn atom in the title monoaqua zinc nitrate adduct of 2-aminopyrimidine, [Zn(NO₃)₂(C₄H₅N₃)₂(H₂O)], is bonded to a monodentate nitrate ion and is chelated by the other nitrate ion. The heterocyclic ligands coordinate through ring N-donor sites. The coordination geometry about the Zn(II) atom is a distorted octahedron. Intramolecular N—H⋯O hydrogen bonds occur. In the crystal, adjacent adduct molecules are linked by O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds into a layer motif parallel to (001).

Related literature

The aquazinc nitrate adduct is isotypic with its Co and Ni analogs, see: Pike et al. (2006 ▶). The copper nitrate adduct is anhydrous, see: Albada et al. (2002 ▶).

Experimental

Crystal data

[Zn(NO₃)₂(C₄H₅N₃)₂(H₂O)]
M _r = 397.63
Monoclinic,
a = 13.2742 (4) Å
b = 8.0142 (2) Å
c = 28.6204 (7) Å
β = 101.335 (1)°
V = 2985.31 (14) Å³
Z = 8
Mo Kα radiation
μ = 1.70 mm⁻¹
T = 293 K
0.22 × 0.18 × 0.12 mm

Data collection

Rigaku R-AXIS RAPID diffractometer
Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ▶) T _min = 0.706, T _max = 0.822
14113 measured reflections
3401 independent reflections
3006 reflections with I > 2σ(I)
R _int = 0.039

Refinement

R[F ² > 2σ(F ²)] = 0.030
wR(F ²) = 0.081
S = 1.04
3401 reflections
241 parameters
6 restraints
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.40 e Å⁻³
Δρ_min = −0.43 e Å⁻³

Data collection: RAPID-AUTO (Rigaku, 1998 ▶); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC and Rigaku, 2002 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: X-SEED (Barbour, 2001 ▶); software used to prepare material for publication: publCIF (Westrip, 2010 ▶).

Supplementary Material

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536810036731/jh2204sup1.cif

e-66-m1279-sup1.cif^{(19.1KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810036731/jh2204Isup2.hkl

e-66-m1279-Isup2.hkl^{(166.9KB, 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
O1w—H11⋯O2ⁱ	0.83 (1)	1.99 (2)	2.776 (2)	158 (3)
O1w—H12⋯N2ⁱⁱ	0.84 (1)	1.94 (1)	2.754 (2)	165 (3)
N3—H31⋯O1	0.87 (1)	2.23 (2)	2.989 (3)	146 (2)
N3—H32⋯O5ⁱⁱⁱ	0.86 (1)	2.34 (2)	3.133 (3)	152 (3)
N6—H61⋯O1	0.87 (1)	2.37 (3)	3.010 (2)	131 (3)
N6—H61⋯O5	0.87 (1)	2.43 (2)	3.122 (3)	137 (3)
N6—H62⋯O1^iv	0.87 (1)	2.41 (2)	3.192 (2)	150 (3)
N6—H62⋯O3^iv	0.87 (1)	2.45 (2)	3.265 (3)	156 (3)

Open in a new tab

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

Acknowledgments

We thank the Key Project of the Natural Science Foundation of Heilongjiang Province (No. ZD200903), the Innovation Team of the Education Bureau of Heilongjiang Province (No. 2010 t d03), Heilongjiang University and the University of Malaya for supporting this study.

supplementary crystallographic information

Comment

The cobalt, nickel and copper adducts of 2-aminopyrimidine have been reported; the first two are monoaqua complexes (Pike et al., 2006) whereas the copper complex is anhydrous (Albada et al., 2002). In the aqua complexes, one nitrate is monodentate and the other is chelating; the heterocyclic ligand coordinates through a ring donor site. The present zinc analog (Scheme I, Fig. 1) is isostructural to the cobalt and nickel adducts, whose structures have been described in detail. Adjacent molecules are linked by O–H···O and N–H···O hydrogen bonds into a layer motif (Fig. 2).

Experimental

Zinc nitrate (1 mmol) and 2-aminopyrimidine (1 mmol) were dissolved in a small volume of water to give a colorless solution. Colorless prismatic crystals separated from the solution after a few days.