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Acta Crystallogr Sect E Struct Rep Online. 2010 February 1; 66(Pt 2): m160.
Published online 2010 January 16. doi:  10.1107/S1600536810001236
PMCID: PMC2979805

Poly[(μ4-tetra­zole-1-acetato-κ4 N 3:N 4:O:O′)silver(I)]

Abstract

In the title complex, [Ag(C3H3N4O2)]n, the AgI atom is four-coordinated in a slightly distorted tetra­hedral coordination geometry by two N atoms from two tetra­zole-1-acetate (tza) ligands and two O atoms from the other two tza ligands. The tza ligand bridges two Ag atoms through the carboxyl­ate O atoms and simultaneously binds to the other two Ag atoms through the tetra­zole N atoms, forming a two-dimensional network parallel to (100).

Related literature

For the diverse coordination modes and potential applications of metal complexes with tetra­zole derivatives, see: Stagni et al. (2006 [triangle]); Ye et al. (2006 [triangle]).

An external file that holds a picture, illustration, etc.
Object name is e-66-0m160-scheme1.jpg

Experimental

Crystal data

  • [Ag(C3H3N4O2)]
  • M r = 234.96
  • Triclinic, An external file that holds a picture, illustration, etc.
Object name is e-66-0m160-efi1.jpg
  • a = 5.1584 (10) Å
  • b = 7.7805 (16) Å
  • c = 7.8711 (16) Å
  • α = 109.40 (3)°
  • β = 98.87 (3)°
  • γ = 104.85 (3)°
  • V = 277.92 (14) Å3
  • Z = 2
  • Mo Kα radiation
  • μ = 3.56 mm−1
  • T = 293 K
  • 0.25 × 0.23 × 0.21 mm

Data collection

  • Rigaku/MSC Mercury CCD diffractometer
  • Absorption correction: multi-scan (REQAB; Jacobson, 1998 [triangle]) T min = 0.470, T max = 0.522
  • 2722 measured reflections
  • 1267 independent reflections
  • 1150 reflections with I > 2σ(I)
  • R int = 0.056

Refinement

  • R[F 2 > 2σ(F 2)] = 0.062
  • wR(F 2) = 0.177
  • S = 1.23
  • 1267 reflections
  • 92 parameters
  • H-atom parameters constrained
  • Δρmax = 2.15 e Å−3
  • Δρmin = −0.97 e Å−3

Data collection: CrystalStructure (Rigaku/MSC, 2002 [triangle]); cell refinement: CrystalStructure; data reduction: CrystalStructure; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 [triangle]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 [triangle]); molecular graphics: ORTEPII (Johnson, 1976 [triangle]) and DIAMOND (Brandenburg, 1999 [triangle]); software used to prepare material for publication: SHELXL97.

Table 1
Selected bond lengths (Å)

Supplementary Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810001236/hy2270sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810001236/hy2270Isup2.hkl

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

Acknowledgments

The authors acknowledge Guang Dong Ocean University for supporting this work.

supplementary crystallographic information

Comment

In recent years, organic ligands with a tetrazole functional group have been greatly used in coordination chemistry for construction of metal-organic frameworks due to their diverse coordination modes and potential applications in varied fields (Stagni et al., 2006; Ye et al., 2006). The reaction of tetrazole-1-acetic acid (Htza) with AgNO3 in an alkaline aqueous solution yielded a new AgI coordination polymer, whose crystal structure is reported here.

In the title complex, the AgI atom is four-coordinated in a slightly distorted tetrahedral coordination geometry by two N atoms and two O atoms from four different tza ligands (Table 1), as illustrated in Fig. 1. The adjacent AgI atoms are co-bridged by tza liands. The tza ligand acts as a tetradentate ligand, bridging two Ag atoms through its carboxylate O atoms, while simultaneously binding to the other two Ag atoms through two N atoms of the tetrazole group, forming a two-dimensional network parallel to (1 0 0).

Experimental

A mixture of AgNO3 (0.073 g, 0.5 mmol) and Htza (0.990 g, 0.5 mmol) in 15 ml of H2O solution was sealed in an autoclave equipped with a Teflon liner (20 ml) and then heated at 373 K for 4 d. Crystals of the title compound were obtained by slow evaporation of the solvent at room temperature.

Refinement

H atoms were placed at calculated positions and treated as riding on the parent C atoms, with C—H = 0.93 (CH) and 0.97 (CH2) Å and with Uiso(H) = 1.2Ueq(C). The highest residual electron density was found 1.40 Å from N4 and the deepest hole 1.12 Å from Ag1.

Figures

Fig. 1.
The asymmetric unit of the title compound, with symmetrically related atoms to complete the Ag coordination. Displacement ellipsoids are drawn at the 30% probability level. [Symmetry codes: (i) 1-x, -y, -z; (ii) x, -1+y, -1+z; (iii) 1-x, -y, 1-z; (iv) ...
Fig. 2.
A view of the layer structure of the title compound.

Crystal data

[Ag(C3H3N4O2)]Z = 2
Mr = 234.96F(000) = 224
Triclinic, P1Dx = 2.808 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 5.1584 (10) ÅCell parameters from 3600 reflections
b = 7.7805 (16) Åθ = 1.4–28°
c = 7.8711 (16) ŵ = 3.56 mm1
α = 109.40 (3)°T = 293 K
β = 98.87 (3)°Block, blue
γ = 104.85 (3)°0.25 × 0.23 × 0.21 mm
V = 277.92 (14) Å3

Data collection

Rigaku/MSC Mercury CCD diffractometer1267 independent reflections
Radiation source: fine-focus sealed tube1150 reflections with I > 2σ(I)
graphiteRint = 0.056
ω scansθmax = 27.5°, θmin = 3.2°
Absorption correction: multi-scan (REQAB; Jacobson, 1998)h = −6→6
Tmin = 0.470, Tmax = 0.522k = −9→10
2722 measured reflectionsl = −10→9

Refinement

Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.062H-atom parameters constrained
wR(F2) = 0.177w = 1/[σ2(Fo2) + (0.0519P)2 + 3.2858P] where P = (Fo2 + 2Fc2)/3
S = 1.23(Δ/σ)max < 0.001
1267 reflectionsΔρmax = 2.15 e Å3
92 parametersΔρmin = −0.97 e Å3
0 restraintsExtinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.052 (15)

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)

xyzUiso*/Ueq
Ag10.61189 (17)−0.19436 (12)−0.05077 (10)0.0387 (5)
O10.9281 (15)0.0639 (10)0.2082 (10)0.0365 (16)
O20.6195 (14)0.1949 (12)0.3227 (10)0.0360 (16)
N10.9120 (16)0.3243 (11)0.6770 (10)0.0277 (16)
N20.872 (2)0.4946 (12)0.7248 (12)0.0376 (19)
N30.7161 (19)0.4973 (12)0.8396 (12)0.0363 (19)
N40.656 (2)0.3322 (13)0.8697 (12)0.0351 (18)
C10.8444 (18)0.1645 (13)0.3374 (12)0.0265 (17)
C21.0509 (18)0.2615 (13)0.5323 (12)0.0267 (17)
H2A1.13680.17100.55450.032*
H2B1.19640.37190.53730.032*
C30.781 (2)0.2254 (15)0.7646 (14)0.034 (2)
H30.77750.10220.75450.041*

Atomic displacement parameters (Å2)

U11U22U33U12U13U23
Ag10.0430 (6)0.0441 (6)0.0259 (5)0.0145 (4)0.0071 (3)0.0105 (3)
O10.033 (3)0.031 (3)0.034 (4)0.013 (3)0.010 (3)−0.003 (3)
O20.028 (3)0.055 (4)0.029 (3)0.020 (3)0.008 (3)0.016 (3)
N10.033 (4)0.030 (4)0.021 (3)0.011 (3)0.008 (3)0.009 (3)
N20.051 (5)0.027 (4)0.033 (4)0.013 (4)0.017 (4)0.008 (3)
N30.045 (5)0.030 (4)0.030 (4)0.010 (4)0.012 (4)0.008 (3)
N40.048 (5)0.034 (4)0.030 (4)0.020 (4)0.017 (4)0.014 (3)
C10.026 (4)0.028 (4)0.025 (4)0.010 (3)0.005 (3)0.009 (3)
C20.023 (4)0.032 (4)0.022 (4)0.010 (3)0.003 (3)0.007 (3)
C30.041 (5)0.033 (5)0.032 (5)0.014 (4)0.013 (4)0.015 (4)

Geometric parameters (Å, °)

Ag1—O12.330 (7)N1—C21.453 (11)
Ag1—O2i2.282 (7)N2—N31.297 (12)
Ag1—N3ii2.494 (9)N3—N41.350 (12)
Ag1—N4iii2.442 (8)N4—C31.331 (13)
O1—C11.270 (11)C1—C21.540 (12)
O2—C11.238 (11)C2—H2A0.9700
N1—C31.324 (12)C2—H2B0.9700
N1—N21.331 (12)C3—H30.9300
O2i—Ag1—O1129.2 (3)C3—N4—N3105.1 (8)
O2i—Ag1—N4iii118.7 (3)C3—N4—Ag1iii117.8 (6)
O1—Ag1—N4iii95.0 (3)N3—N4—Ag1iii137.0 (6)
O2i—Ag1—N3ii102.2 (3)O2—C1—O1127.3 (9)
O1—Ag1—N3ii118.0 (3)O2—C1—C2117.2 (8)
N4iii—Ag1—N3ii86.0 (3)O1—C1—C2115.5 (8)
C1—O1—Ag1120.6 (6)N1—C2—C1111.1 (7)
C1—O2—Ag1i121.2 (6)N1—C2—H2A109
C3—N1—N2109.2 (8)C1—C2—H2A109
C3—N1—C2128.9 (8)N1—C2—H2B109
N2—N1—C2121.4 (8)C1—C2—H2B109
N3—N2—N1106.3 (8)H2A—C2—H2B108
N2—N3—N4111.0 (8)N1—C3—N4108.4 (9)
N2—N3—Ag1iv112.1 (6)N1—C3—H3126
N4—N3—Ag1iv136.9 (6)N4—C3—H3126

Symmetry codes: (i) −x+1, −y, −z; (ii) x, y−1, z−1; (iii) −x+1, −y, −z+1; (iv) x, y+1, z+1.

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HY2270).

References

  • Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.
  • Jacobson, R. (1998). REQAB. Private communication to the Molecular Structure Corporation, The Woodlands, Texas, USA.
  • Johnson, C. K. (1976). ORTEPII Report ORNL-5138. Oak Ridge National Laboratory, Tennessee, USA.
  • Rigaku/MSC (2002). CrystalStructure Rigaku/MSC, The Woodlands, Texas, USA.
  • Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. [PubMed]
  • Stagni, S., Palazzi, A., Zacchini, S., Ballarin, B., Bruno, C., Marcaccio, M., Paolucci, F., Monari, M., Carano, M. & Bard, A. J. (2006). Inorg. Chem.45, 695–709. [PubMed]
  • Ye, Q., Song, Y.-M., Wang, G.-X., Chen, K., Fu, D.-W., Chan, P. W. H. & Xiong, R.-G. (2006). J. Am. Chem. Soc.128, 6554–6555. [PubMed]

Articles from Acta Crystallographica Section E: Structure Reports Online are provided here courtesy of International Union of Crystallography