catena-Poly[silver(I)-μ-pyrazolato-κN:N'].

The title compound, [Ag(C(3)H(3)N(2))](n), has an infinite helical chain structure in which each pyrazolate group bridges two Ag(I) atoms related by a 2(1) axis with an intra-chain Ag⋯Ag separation of 3.3718 (7) Å. Each Ag(I) center is linearly coordinated by two N atoms [N-Ag-N angle = 169.98 (14)°]. The chains are held together by inter-chain Ag⋯Ag inter-actions [3.2547 (6) Å], forming a two-dimensional layer. The X-ray single-crystal diffraction result is consonant with that of the ab initio X-ray powder diffraction reported by Masciocchi, Moret, Cairati, Sironi, Ardizzoia & La Monica [J. Am. Chem. Soc. (1994). 116, 7668-7676], with only minor deviations of structural parameters.

Related literature

For related literature, see: Masciocchi et al. (1994 ▶).

Experimental

Crystal data

[Ag(C3H3N2)]

M = 174.94

Orthorhombic,

a = 6.4084 (13) Å

b = 6.4989 (13) Å

c = 19.948 (4) Å

V = 830.8 (3) Å3

Z = 8

Mo Kα radiation

μ = 4.66 mm−1

T = 293 (2) K

0.40 × 0.20 × 0.20 mm

Data collection

Bruker SMART CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 1998 ▶) T min = 0.340, T max = 0.400

7019 measured reflections

951 independent reflections

778 reflections with I > 2σ(I)

R int = 0.044

Refinement

R[F 2 > 2σ(F 2)] = 0.041

wR(F 2) = 0.066

S = 1.26

951 reflections

55 parameters

H-atom parameters constrained

Δρmax = 0.38 e Å−3

Δρmin = −0.55 e Å−3

Data collection: SMART (Bruker, 1998 ▶); cell refinement: SAINT (Bruker, 1998 ▶); data reduction: SHELXTL (Bruker, 1998 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997 ▶); molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536807063490/bq2042sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536807063490/bq2042Isup2.hkl

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

[Ag(C3H3N2)]	F000 = 656
Mr = 174.94	Dx = 2.797 Mg m−3
Orthorhombic, Pbca	Mo Kα radiation λ = 0.71073 Å
Hall symbol: -P 2ac 2ab	Cell parameters from 6390 reflections
a = 6.4084 (13) Å	θ = 3.1–27.7º
b = 6.4989 (13) Å	µ = 4.66 mm−1
c = 19.948 (4) Å	T = 293 (2) K
V = 830.8 (3) Å3	Block, colorless
Z = 8	0.40 × 0.20 × 0.20 mm

Bruker Smart CCD area-detector diffractometer	951 independent reflections
Radiation source: fine-focus sealed tube	778 reflections with I > 2σ(I)
Monochromator: graphite	Rint = 0.044
T = 293(2) K	θmax = 27.5º
φ and ω scan	θmin = 3.8º
Absorption correction: multi-scan(SADABS; Bruker, 1998)	h = −8→7
Tmin = 0.340, Tmax = 0.400	k = −8→8
7019 measured reflections	l = −25→25

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.041	H-atom parameters constrained
wR(F2) = 0.066	w = 1/[σ2(Fo2) + (0.0145P)2 + 0.695P] where P = (Fo2 + 2Fc2)/3
S = 1.26	(Δ/σ)max = 0.004
951 reflections	Δρmax = 0.38 e Å−3
55 parameters	Δρmin = −0.55 e Å−3
Primary atom site location: structure-invariant direct methods	Extinction correction: none

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

	x	y	z	Uiso*/Ueq
Ag1	0.23552 (5)	0.32951 (6)	1.004623 (15)	0.04206 (16)
N1	0.3965 (5)	0.3598 (6)	0.91516 (17)	0.0345 (9)
N2	0.5800 (5)	0.2552 (6)	0.90915 (17)	0.0364 (9)
C1	0.3418 (7)	0.4213 (7)	0.8548 (2)	0.0403 (12)
H1A	0.2217	0.4958	0.8450	0.048*
C2	0.4861 (7)	0.3606 (7)	0.8087 (2)	0.0448 (12)
H2A	0.4851	0.3836	0.7627	0.054*
C3	0.6325 (7)	0.2581 (7)	0.8457 (2)	0.0425 (12)
H3A	0.7528	0.1986	0.8282	0.051*

	U11	U22	U33	U12	U13	U23
Ag1	0.0444 (3)	0.0411 (3)	0.0407 (2)	−0.00048 (16)	0.00707 (18)	−0.00123 (16)
N1	0.038 (2)	0.032 (2)	0.033 (2)	0.0036 (18)	0.0039 (16)	−0.0005 (17)
N2	0.037 (2)	0.037 (2)	0.036 (2)	0.0002 (17)	0.0017 (17)	−0.0002 (18)
C1	0.048 (3)	0.026 (3)	0.047 (3)	0.006 (2)	−0.009 (2)	0.002 (2)
C2	0.062 (3)	0.040 (3)	0.033 (3)	−0.010 (3)	0.002 (2)	0.003 (2)
C3	0.044 (3)	0.036 (3)	0.048 (3)	−0.001 (2)	0.011 (2)	−0.006 (2)

Ag1—N1	2.070 (3)	N2—C3	1.310 (5)
Ag1—N2i	2.063 (4)	C1—C2	1.362 (6)
Ag1—Ag1ii	3.2547 (6)	C1—H1A	0.9300
Ag1—Ag1i	3.3718 (7)	C2—C3	1.367 (6)
N1—C1	1.316 (5)	C2—H2A	0.9300
N1—N2	1.364 (5)	C3—H3A	0.9300
N2i—Ag1—N1	169.98 (14)	C1—N1—N2	107.5 (3)
N2i—Ag1—Ag1ii	76.18 (10)	C1—N1—Ag1	133.2 (3)
N1—Ag1—Ag1ii	93.82 (10)	N2—N1—Ag1	117.3 (3)
N2i—Ag1—Ag1iii	107.09 (10)	C3—N2—N1	107.4 (3)
N1—Ag1—Ag1iii	82.91 (10)	C3—N2—Ag1iv	133.3 (3)
Ag1ii—Ag1—Ag1iii	173.46 (2)	N1—N2—Ag1iv	118.5 (2)
N2i—Ag1—Ag1i	60.31 (10)	N1—C1—C2	110.4 (4)
N1—Ag1—Ag1i	117.09 (10)	N1—C1—H1A	124.8
Ag1ii—Ag1—Ag1i	75.415 (18)	C2—C1—H1A	124.8
Ag1iii—Ag1—Ag1i	111.111 (17)	C1—C2—C3	104.1 (4)
N2i—Ag1—Ag1iv	115.02 (10)	C1—C2—H2A	128.0
N1—Ag1—Ag1iv	60.57 (10)	C3—C2—H2A	128.0
Ag1ii—Ag1—Ag1iv	68.889 (17)	N2—C3—C2	110.6 (4)
Ag1iii—Ag1—Ag1iv	104.585 (18)	N2—C3—H3A	124.7
Ag1i—Ag1—Ag1iv	143.72 (3)	C2—C3—H3A	124.7
N2i—Ag1—N1—C1	108.9 (8)	C1—N1—N2—C3	0.7 (5)
Ag1ii—Ag1—N1—C1	112.0 (4)	Ag1—N1—N2—C3	166.6 (3)
Ag1iii—Ag1—N1—C1	−73.6 (4)	C1—N1—N2—Ag1iv	171.5 (3)
Ag1i—Ag1—N1—C1	36.5 (5)	Ag1—N1—N2—Ag1iv	−22.6 (4)
Ag1iv—Ag1—N1—C1	175.2 (5)	N2—N1—C1—C2	−0.3 (5)
N2i—Ag1—N1—N2	−52.6 (9)	Ag1—N1—C1—C2	−163.1 (3)
Ag1ii—Ag1—N1—N2	−49.4 (3)	N1—C1—C2—C3	−0.1 (6)
Ag1iii—Ag1—N1—N2	124.9 (3)	N1—N2—C3—C2	−0.8 (5)
Ag1i—Ag1—N1—N2	−124.9 (3)	Ag1iv—N2—C3—C2	−169.6 (3)
Ag1iv—Ag1—N1—N2	13.7 (2)	C1—C2—C3—N2	0.6 (6)

Ag1—N1	2.070 (3)
Ag1—N2i	2.063 (4)
Ag1⋯Ag1ii	3.2547 (6)
Ag1⋯Ag1i	3.3718 (7)

N2i—Ag1—N1

169.98 (14)

Symmetry codes: (i) ; (ii) .