catena-Poly[silver(I)-bis-[μ-4-methyl-1H-1,2,4-triazole-3(4H)-thione-κ(2) S:S]-silver(I)-di-μ-thio-cyanato-κ(2) S:N;κ(2) N:S].

In the title one-dimensional coordination polymer, [Ag2(NCS)2(C3H5N3S)2] n , the Ag(I) atom adopts a distorted tetra-hedral AgNS3 geometry. Adjacent Ag(I) atoms in the [001] chain are alternately linked by pairs of bridging 4-methyl-1H-1,2,4-triazole-3(4H)-thione (Hmptrz) ligands (via their S atoms) and double thio-cyanate bridges linking through both S and N atoms (μ-1,3-SCN). An intra-chain N-H⋯N hydrogen bond occurs between the NH group of the triazole ring and the N atom of the thio-cyanate bridging ligand. A (101) sheet structure arises from inter-chain S⋯N short contacts [3.239 (3) Å] involving the thio-cyanate S atom and the triazole-ring N atom and possible very weak π-π stacking [centroid-centroid separation = 4.0762 (18) Å] between the triazole rings.

Related literature

For examples of complexes with multifunctional ligand donors, see: Zhang et al.(2009 ▶); Wang et al. (2011 ▶). For background to complexes containing derivatives of the 1,2,4-triazole ligand, see: Zhang et al. (1999 ▶); Jiang et al. (2011 ▶). For the thio­cyanate bridging ligand, end-to-end mode, see: Vicente et al. (1997 ▶); Chen et al. (1999 ▶); Diaz et al. (1999 ▶); Goher et al. (2000 ▶); Song et al. (2000 ▶); Cai et al. (2007 ▶); Saithong et al. (2007 ▶).

Experimental

Crystal data

[Ag2(NCS)2(C3H5N3S)2]

M = 562.22

Triclinic,

a = 7.4842 (6) Å

b = 7.5420 (6) Å

c = 8.4262 (7) Å

α = 79.985 (2)°

β = 84.329 (2)°

γ = 64.508 (1)°

V = 422.62 (6) Å3

Z = 1

Mo Kα radiation

μ = 2.82 mm−1

T = 293 K

0.31 × 0.12 × 0.05 mm

Data collection

Bruker APEX CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2003 ▶) T min = 0.682, T max = 0.879

5887 measured reflections

2083 independent reflections

1904 reflections with I > 2σ(I)

R int = 0.026

Refinement

R[F 2 > 2σ(F 2)] = 0.029

wR(F 2) = 0.070

S = 1.05

2083 reflections

104 parameters

1 restraint

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.79 e Å−3

Δρmin = −0.63 e Å−3

Data collection: SMART (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: Mercury (Macrae et al., 2008 ▶); software used to prepare material for publication: SHELXTL (Sheldrick, 2008 ▶), PLATON (Spek, 2009 ▶) and publCIF (Westrip, 2010 ▶).

Click here for additional data file.

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S160053681300946X/hb7066sup1.cif

Click here for additional data file.

Structure factors: contains datablock(s) I. DOI: 10.1107/S160053681300946X/hb7066Isup2.hkl

Click here for additional data file.

Supplementary material file. DOI: 10.1107/S160053681300946X/hb7066Isup3.mol

Click here for additional data file.

Supplementary material file. DOI: 10.1107/S160053681300946X/hb7066Isup4.mol

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

[Ag2(NCS)2(C3H5N3S)2]	Z = 1
Mr = 562.22	F(000) = 272
Triclinic, P1	Dx = 2.209 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 7.4842 (6) Å	Cell parameters from 3160 reflections
b = 7.5420 (6) Å	θ = 2.5–28.1°
c = 8.4262 (7) Å	µ = 2.82 mm−1
α = 79.985 (2)°	T = 293 K
β = 84.329 (2)°	Block, colourless
γ = 64.508 (1)°	0.31 × 0.12 × 0.05 mm
V = 422.62 (6) Å3

Bruker APEX CCD diffractometer	2083 independent reflections
Radiation source: fine-focus sealed tube	1904 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.026
Frames, each covering 0.3 ° in ω scans	θmax = 28.3°, θmin = 2.5°
Absorption correction: multi-scan (SADABS; Bruker, 2003)	h = −9→9
Tmin = 0.682, Tmax = 0.879	k = −10→10
5887 measured reflections	l = −11→11

Refinement on F2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.029	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.070	H atoms treated by a mixture of independent and constrained refinement
S = 1.05	w = 1/[σ2(Fo2) + (0.0262P)2 + 0.3652P] where P = (Fo2 + 2Fc2)/3
2083 reflections	(Δ/σ)max < 0.001
104 parameters	Δρmax = 0.79 e Å−3
1 restraint	Δρmin = −0.63 e Å−3

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	0.43439 (4)	0.06942 (4)	0.18148 (3)	0.06373 (11)
S1	0.45768 (10)	0.28186 (11)	−0.08435 (10)	0.04902 (17)
N1	0.8089 (4)	0.2218 (4)	0.0367 (3)	0.0471 (5)
H1	0.784 (5)	0.168 (5)	0.130 (3)	0.057*
N2	0.9737 (4)	0.2569 (4)	−0.0040 (3)	0.0580 (7)
N3	0.7724 (3)	0.3598 (3)	−0.2066 (3)	0.0443 (5)
C1	0.6839 (4)	0.2840 (4)	−0.0829 (3)	0.0399 (5)
C2	0.9452 (4)	0.3410 (5)	−0.1505 (4)	0.0548 (7)
H2	1.0329	0.3844	−0.2120	0.066*
C3	0.6939 (6)	0.4444 (6)	−0.3672 (4)	0.0614 (8)
H3A	0.6677	0.3493	−0.4116	0.092*
H3B	0.7889	0.4779	−0.4352	0.092*
H3C	0.5733	0.5619	−0.3608	0.092*
S2	0.13129 (11)	0.14847 (14)	0.36025 (10)	0.0576 (2)
C4	0.2341 (4)	0.0469 (5)	0.5367 (4)	0.0479 (6)
N4	0.3024 (4)	−0.0245 (5)	0.6610 (3)	0.0661 (8)

	U11	U22	U33	U12	U13	U23
Ag1	0.06481 (18)	0.0881 (2)	0.05807 (16)	−0.04888 (16)	0.01183 (12)	−0.02344 (13)
S1	0.0410 (4)	0.0516 (4)	0.0602 (4)	−0.0237 (3)	−0.0010 (3)	−0.0116 (3)
N1	0.0437 (12)	0.0499 (13)	0.0494 (13)	−0.0240 (11)	−0.0036 (10)	0.0014 (10)
N2	0.0431 (13)	0.0646 (16)	0.0680 (17)	−0.0281 (12)	−0.0086 (12)	0.0049 (13)
N3	0.0451 (12)	0.0457 (12)	0.0454 (12)	−0.0225 (10)	0.0004 (9)	−0.0069 (10)
C1	0.0400 (13)	0.0357 (12)	0.0466 (13)	−0.0172 (10)	0.0015 (10)	−0.0107 (10)
C2	0.0427 (15)	0.0599 (18)	0.0645 (19)	−0.0275 (14)	−0.0007 (13)	−0.0007 (15)
C3	0.073 (2)	0.072 (2)	0.0447 (15)	−0.0374 (18)	−0.0050 (15)	−0.0028 (14)
S2	0.0427 (4)	0.0772 (5)	0.0541 (4)	−0.0308 (4)	−0.0013 (3)	0.0023 (4)
C4	0.0431 (14)	0.0621 (17)	0.0496 (15)	−0.0326 (13)	0.0082 (12)	−0.0135 (13)
N4	0.0619 (17)	0.100 (2)	0.0501 (15)	−0.0486 (17)	−0.0010 (13)	−0.0081 (15)

Ag1—N4i	2.354 (3)	N3—C1	1.354 (3)
Ag1—S2	2.4987 (8)	N3—C2	1.363 (4)
Ag1—S1	2.5554 (8)	N3—C3	1.455 (4)
Ag1—S1ii	2.6688 (8)	C2—H2	0.9300
Ag1—Ag1ii	3.3241 (5)	C3—H3A	0.9600
S1—C1	1.701 (3)	C3—H3B	0.9600
S1—Ag1ii	2.6688 (8)	C3—H3C	0.9600
N1—C1	1.325 (3)	S2—C4	1.646 (3)
N1—N2	1.369 (3)	C4—N4	1.150 (4)
N1—H1	0.860 (18)	N4—Ag1i	2.354 (3)
N2—C2	1.278 (4)
N4i—Ag1—S2	107.73 (7)	C1—N3—C3	125.5 (2)
N4i—Ag1—S1	106.91 (7)	C2—N3—C3	127.7 (3)
S2—Ag1—S1	124.52 (3)	N1—C1—N3	104.4 (2)
N4i—Ag1—S1ii	104.55 (9)	N1—C1—S1	129.2 (2)
S2—Ag1—S1ii	110.41 (3)	N3—C1—S1	126.3 (2)
S1—Ag1—S1ii	101.00 (2)	N2—C2—N3	112.6 (3)
N4i—Ag1—Ag1ii	115.17 (8)	N2—C2—H2	123.7
S2—Ag1—Ag1ii	135.70 (2)	N3—C2—H2	123.7
S1—Ag1—Ag1ii	52.010 (19)	N3—C3—H3A	109.5
S1ii—Ag1—Ag1ii	48.991 (18)	N3—C3—H3B	109.5
C1—S1—Ag1	104.45 (10)	H3A—C3—H3B	109.5
C1—S1—Ag1ii	99.55 (9)	N3—C3—H3C	109.5
Ag1—S1—Ag1ii	79.00 (2)	H3A—C3—H3C	109.5
C1—N1—N2	113.0 (2)	H3B—C3—H3C	109.5
C1—N1—H1	122 (2)	C4—S2—Ag1	100.04 (10)
N2—N1—H1	125 (2)	N4—C4—S2	178.6 (3)
C2—N2—N1	103.3 (2)	C4—N4—Ag1i	142.0 (2)
C1—N3—C2	106.7 (2)
N4i—Ag1—S1—C1	11.91 (13)	C3—N3—C1—S1	−3.5 (4)
S2—Ag1—S1—C1	138.45 (9)	Ag1—S1—C1—N1	−10.7 (3)
S1ii—Ag1—S1—C1	−97.15 (9)	Ag1ii—S1—C1—N1	−91.7 (3)
Ag1ii—Ag1—S1—C1	−97.15 (9)	Ag1—S1—C1—N3	172.3 (2)
N4i—Ag1—S1—Ag1ii	109.06 (9)	Ag1ii—S1—C1—N3	91.3 (2)
S2—Ag1—S1—Ag1ii	−124.40 (3)	N1—N2—C2—N3	−0.6 (4)
S1ii—Ag1—S1—Ag1ii	0.0	C1—N3—C2—N2	1.2 (4)
C1—N1—N2—C2	−0.2 (4)	C3—N3—C2—N2	−178.9 (3)
N2—N1—C1—N3	0.9 (3)	N4i—Ag1—S2—C4	−24.14 (14)
N2—N1—C1—S1	−176.7 (2)	S1—Ag1—S2—C4	−150.33 (11)
C2—N3—C1—N1	−1.2 (3)	S1ii—Ag1—S2—C4	89.46 (11)
C3—N3—C1—N1	178.9 (3)	Ag1ii—Ag1—S2—C4	141.07 (11)
C2—N3—C1—S1	176.4 (2)

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1···N4i	0.86 (2)	2.10 (2)	2.954 (4)	171 (3)

Table 1

Selected bond lengths (Å)

Ag1—N4i	2.354 (3)
Ag1—S2	2.4987 (8)
Ag1—S1	2.5554 (8)
Ag1—S1ii	2.6688 (8)

Symmetry codes: (i) ; (ii) .

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N1—H1⋯N4i	0.86 (2)	2.10 (2)	2.954 (4)	171 (3)

Symmetry code: (i) .