Acta Cryst. (2007). E63, m2485 [ doi:10.1107/S1600536807042912 ]
![[mu]](/logos/entities/mu_rmgif.gif)
-1,4-di-3-pyridyl-2,3-diaza-1,3-butadiene hexafluoridophosphate-acetonitrile (1/1)]The asymmetric unit in the polymeric title compound, [Ag(C12H10N4)]n·nPF6·nC2H3N, comprises an Ag cation, two half 3-pyridinealdazine (3-PA) molecules, each disposed about a centre of inversion, a hexafluoridophosphate anion and an acetonitrile solvent molecule. The Ag atoms bond to two N atoms and the bridging 3-PA ligands lead to the formation of zigzag chains that are linked into a layer structure via weakly bridging acetonitrile molecules and argentophilic interactions [Ag
Ag = 3.2590 (15) Å]. The layers stack along the b axis and are interspersed by layers of hexafluoridophosphate anions. Various C-HF and C-HN interactions help to consolidate the structure.
Ag(PF6) (Aldrich, 0.05 g, 0.20 mmol) was dissolved in CH3CN (20 ml) and layered on top of a CH2Cl2 solution (20 ml) containing 0.041 g (0.20 mmol) of 3-pyridinealdazine (Aldrich). After three days, yellow prisms of (I) were observed at the interface between the two layers; m.p. 579–581 K.
All the H atoms were included in the riding-model approximation, with C–H = 0.95–98 Å, and with Uiso(H) = 1.2 or 1.5Ueq(C).
Data collection: CrystalClear (Rigaku/MSC, 2005); cell refinement: CrystalClear (Rigaku/MSC, 2005); data reduction: CrystalClear (Rigaku/MSC, 2005); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976) and DIAMOND (Brandenburg, 2006); software used to prepare material for publication: SHELXL97 (Sheldrick, 1997).
![[Figure 1]](./hb2531fig1thm.gif)
| Fig. 1. Asymmetric unit of (I) expanded to show the polymeric connectivity. Displacement ellipsoids at the 70% probability level (arbitrary spheres for the H atoms). Symmetry operations (i): 1 - x, 2 - y, 1 - z, and (ii): -x, 2 - y, -1 - z. |
![[Figure 2]](./hb2531fig2thm.gif)
| Fig. 2. View of the layers in (I) viewed down the b axis highlighting the brick wall topology. Weak Ag···N interactions involving the acetonitrile molecules are shown as dashed bonds. Colour code: orange (silver), yellow (sulfur), red (oxygen), blue (nitrogen), grey (carbon) and green (hydrogen). |
![[Figure 3]](./hb2531fig3thm.gif)
| Fig. 3. View of the unit-cell contents of (I) highlighting the stacking of layers. Weak Ag···N interactions involving the acetonitrile molecules are shown as dashed bonds. Colour code as for Fig. 2. |
| [Ag(C12H10N4)]PF6·C2H3N | Z = 2 |
| Mr = 504.13 | F(000) = 496 |
| Triclinic, P1 | Dx = 1.962 Mg m−3 |
| Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71070 Å |
| a = 7.917 (3) Å | Cell parameters from 3181 reflections |
| b = 10.416 (3) Å | θ = 2.7–30.5° |
| c = 11.357 (5) Å | µ = 1.35 mm−1 |
| α = 75.58 (5)° | T = 98 K |
| β = 70.66 (3)° | Prism, yellow |
| γ = 81.11 (4)° | 0.30 × 0.20 × 0.10 mm |
| V = 853.2 (5) Å3 |
| Rigaku AFC12κ/SATURN724 diffractometer | 3508 independent reflections |
| Radiation source: fine-focus sealed tube | 3404 reflections with I > 2σ(I) |
| graphite | Rint = 0.019 |
| ω scans | θmax = 26.5°, θmin = 2.5° |
| Absorption correction: multi-scan (ABSCOR; Higashi, 1995) | h = −9→9 |
| Tmin = 0.406, Tmax = 1.000 | k = −12→13 |
| 9571 measured reflections | l = −12→14 |
| 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)] = 0.024 | Hydrogen site location: inferred from neighbouring sites |
| wR(F2) = 0.061 | H-atom parameters constrained |
| S = 1.12 | w = 1/[σ2(Fo2) + (0.0287P)2 + 0.7535P] where P = (Fo2 + 2Fc2)/3 |
| 3508 reflections | (Δ/σ)max = 0.002 |
| 244 parameters | Δρmax = 0.58 e Å−3 |
| 0 restraints | Δρmin = −0.42 e Å−3 |
| [Ag(C12H10N4)]PF6·C2H3N | γ = 81.11 (4)° |
| Mr = 504.13 | V = 853.2 (5) Å3 |
| Triclinic, P1 | Z = 2 |
| a = 7.917 (3) Å | Mo Kα radiation |
| b = 10.416 (3) Å | µ = 1.35 mm−1 |
| c = 11.357 (5) Å | T = 98 K |
| α = 75.58 (5)° | 0.30 × 0.20 × 0.10 mm |
| β = 70.66 (3)° |
| Rigaku AFC12κ/SATURN724 diffractometer | 3404 reflections with I > 2σ(I) |
| Absorption correction: multi-scan (ABSCOR; Higashi, 1995) | Rint = 0.019 |
| Tmin = 0.406, Tmax = 1.000 | θmax = 26.5° |
| 9571 measured reflections | Standard reflections: 0 |
| 3508 independent reflections |
| R[F2 > 2σ(F2)] = 0.024 | H-atom parameters constrained |
| wR(F2) = 0.061 | Δρmax = 0.58 e Å−3 |
| S = 1.12 | Δρmin = −0.42 e Å−3 |
| 3508 reflections | Absolute structure: ? |
| 244 parameters | Flack parameter: ? |
| 0 restraints | Rogers parameter: ? |
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 | ||
| Ag | 0.19529 (2) | 0.921735 (16) | −0.001479 (15) | 0.02331 (7) | |
| P1 | 0.35231 (8) | 0.57251 (5) | 0.27956 (5) | 0.02040 (12) | |
| F1 | 0.2394 (2) | 0.68371 (14) | 0.20476 (16) | 0.0373 (4) | |
| F2 | 0.4462 (2) | 0.51518 (15) | 0.15379 (14) | 0.0373 (3) | |
| F3 | 0.1968 (2) | 0.47507 (15) | 0.32092 (16) | 0.0406 (4) | |
| F4 | 0.2591 (2) | 0.63135 (17) | 0.40388 (15) | 0.0432 (4) | |
| F5 | 0.46592 (19) | 0.46138 (14) | 0.35278 (14) | 0.0344 (3) | |
| F6 | 0.50926 (19) | 0.66944 (14) | 0.23800 (14) | 0.0329 (3) | |
| N1 | 0.2938 (2) | 1.03785 (17) | 0.09097 (16) | 0.0170 (3) | |
| N2 | 0.4846 (2) | 1.04341 (17) | 0.44581 (16) | 0.0185 (4) | |
| N3 | 0.1510 (2) | 0.79723 (18) | −0.11309 (17) | 0.0198 (4) | |
| N4 | 0.0213 (2) | 0.97670 (19) | −0.44279 (17) | 0.0219 (4) | |
| N5 | −0.1325 (3) | 0.84620 (19) | 0.17805 (19) | 0.0257 (4) | |
| C1 | 0.3153 (3) | 1.1678 (2) | 0.0438 (2) | 0.0198 (4) | |
| H1 | 0.2888 | 1.2083 | −0.0335 | 0.024* | |
| C2 | 0.3746 (3) | 1.2454 (2) | 0.1027 (2) | 0.0205 (4) | |
| H2 | 0.3873 | 1.3373 | 0.0663 | 0.025* | |
| C3 | 0.4149 (3) | 1.1887 (2) | 0.2139 (2) | 0.0186 (4) | |
| H3 | 0.4535 | 1.2406 | 0.2568 | 0.022* | |
| C4 | 0.3977 (3) | 1.0527 (2) | 0.26239 (19) | 0.0154 (4) | |
| C5 | 0.3354 (3) | 0.9823 (2) | 0.19818 (19) | 0.0168 (4) | |
| H5 | 0.3218 | 0.8901 | 0.2322 | 0.020* | |
| C6 | 0.4383 (3) | 0.9820 (2) | 0.37887 (19) | 0.0168 (4) | |
| H6 | 0.4301 | 0.8885 | 0.4054 | 0.020* | |
| C7 | 0.1646 (3) | 0.6635 (2) | −0.0804 (2) | 0.0246 (5) | |
| H7 | 0.1888 | 0.6218 | −0.0025 | 0.030* | |
| C8 | 0.1449 (3) | 0.5847 (2) | −0.1553 (2) | 0.0269 (5) | |
| H8 | 0.1562 | 0.4906 | −0.1294 | 0.032* | |
| C9 | 0.1085 (3) | 0.6436 (2) | −0.2681 (2) | 0.0246 (5) | |
| H9 | 0.0950 | 0.5910 | −0.3213 | 0.030* | |
| C10 | 0.0921 (3) | 0.7817 (2) | −0.3023 (2) | 0.0201 (4) | |
| C11 | 0.1164 (3) | 0.8541 (2) | −0.2224 (2) | 0.0192 (4) | |
| H11 | 0.1079 | 0.9484 | −0.2468 | 0.023* | |
| C12 | 0.0484 (3) | 0.8502 (2) | −0.4185 (2) | 0.0221 (4) | |
| H12 | 0.0402 | 0.8008 | −0.4761 | 0.027* | |
| C13 | −0.1674 (3) | 0.7765 (2) | 0.2742 (2) | 0.0204 (4) | |
| C14 | −0.2150 (3) | 0.6882 (2) | 0.3989 (2) | 0.0267 (5) | |
| H14A | −0.2694 | 0.7407 | 0.4647 | 0.040* | |
| H14B | −0.1068 | 0.6364 | 0.4137 | 0.040* | |
| H14C | −0.3009 | 0.6278 | 0.4027 | 0.040* |
| U11 | U22 | U33 | U12 | U13 | U23 | |
| Ag | 0.02641 (11) | 0.02883 (11) | 0.02023 (10) | −0.00394 (7) | −0.01124 (7) | −0.00841 (7) |
| P1 | 0.0219 (3) | 0.0189 (3) | 0.0211 (3) | −0.0042 (2) | −0.0069 (2) | −0.0036 (2) |
| F1 | 0.0384 (8) | 0.0276 (7) | 0.0514 (10) | 0.0002 (6) | −0.0285 (7) | 0.0002 (7) |
| F2 | 0.0498 (9) | 0.0342 (8) | 0.0282 (8) | −0.0041 (7) | −0.0077 (7) | −0.0122 (6) |
| F3 | 0.0327 (8) | 0.0354 (8) | 0.0526 (10) | −0.0166 (6) | −0.0124 (7) | −0.0001 (7) |
| F4 | 0.0445 (9) | 0.0501 (10) | 0.0345 (9) | 0.0053 (7) | −0.0059 (7) | −0.0223 (7) |
| F5 | 0.0321 (8) | 0.0320 (8) | 0.0303 (8) | 0.0008 (6) | −0.0093 (6) | 0.0064 (6) |
| F6 | 0.0310 (8) | 0.0290 (7) | 0.0415 (8) | −0.0117 (6) | −0.0157 (6) | −0.0002 (6) |
| N1 | 0.0176 (9) | 0.0201 (9) | 0.0137 (8) | −0.0017 (7) | −0.0056 (7) | −0.0030 (7) |
| N2 | 0.0208 (9) | 0.0203 (9) | 0.0146 (8) | −0.0032 (7) | −0.0075 (7) | −0.0004 (7) |
| N3 | 0.0189 (9) | 0.0240 (9) | 0.0175 (9) | −0.0042 (7) | −0.0057 (7) | −0.0045 (7) |
| N4 | 0.0173 (9) | 0.0346 (11) | 0.0155 (9) | −0.0034 (7) | −0.0039 (7) | −0.0090 (8) |
| N5 | 0.0295 (11) | 0.0251 (10) | 0.0236 (10) | −0.0050 (8) | −0.0094 (8) | −0.0035 (8) |
| C1 | 0.0200 (10) | 0.0226 (10) | 0.0160 (10) | −0.0041 (8) | −0.0057 (8) | −0.0007 (8) |
| C2 | 0.0219 (11) | 0.0187 (10) | 0.0188 (10) | −0.0027 (8) | −0.0048 (8) | −0.0012 (8) |
| C3 | 0.0154 (10) | 0.0204 (10) | 0.0203 (10) | −0.0034 (8) | −0.0044 (8) | −0.0054 (8) |
| C4 | 0.0121 (9) | 0.0202 (10) | 0.0136 (9) | −0.0002 (7) | −0.0030 (7) | −0.0047 (8) |
| C5 | 0.0168 (10) | 0.0163 (9) | 0.0166 (10) | −0.0004 (7) | −0.0046 (8) | −0.0033 (8) |
| C6 | 0.0157 (10) | 0.0187 (10) | 0.0156 (10) | −0.0014 (7) | −0.0047 (8) | −0.0030 (8) |
| C7 | 0.0206 (11) | 0.0275 (11) | 0.0251 (11) | −0.0037 (9) | −0.0079 (9) | −0.0021 (9) |
| C8 | 0.0240 (12) | 0.0243 (11) | 0.0330 (13) | −0.0006 (9) | −0.0094 (10) | −0.0071 (10) |
| C9 | 0.0189 (11) | 0.0286 (11) | 0.0313 (12) | −0.0019 (8) | −0.0073 (9) | −0.0157 (10) |
| C10 | 0.0123 (10) | 0.0293 (11) | 0.0187 (10) | −0.0030 (8) | −0.0020 (8) | −0.0081 (9) |
| C11 | 0.0147 (10) | 0.0241 (10) | 0.0187 (10) | −0.0040 (8) | −0.0032 (8) | −0.0056 (8) |
| C12 | 0.0168 (10) | 0.0333 (12) | 0.0191 (10) | −0.0023 (8) | −0.0041 (8) | −0.0123 (9) |
| C13 | 0.0195 (10) | 0.0216 (10) | 0.0225 (11) | −0.0014 (8) | −0.0080 (8) | −0.0070 (9) |
| C14 | 0.0327 (13) | 0.0262 (12) | 0.0196 (11) | −0.0036 (9) | −0.0085 (9) | −0.0005 (9) |
| Ag—N1 | 2.1538 (19) | C2—H2 | 0.9500 |
| Ag—N3 | 2.160 (2) | C3—C4 | 1.397 (3) |
| Ag—N5 | 2.800 (2) | C3—H3 | 0.9500 |
| Ag—Agi | 3.2590 (15) | C4—C5 | 1.389 (3) |
| P1—F4 | 1.5858 (17) | C4—C6 | 1.455 (3) |
| P1—F3 | 1.5914 (16) | C5—H5 | 0.9500 |
| P1—F2 | 1.5917 (17) | C6—H6 | 0.9500 |
| P1—F5 | 1.5919 (16) | C7—C8 | 1.377 (3) |
| P1—F6 | 1.5964 (16) | C7—H7 | 0.9500 |
| P1—F1 | 1.5984 (16) | C8—C9 | 1.377 (3) |
| N1—C5 | 1.335 (3) | C8—H8 | 0.9500 |
| N1—C1 | 1.341 (3) | C9—C10 | 1.391 (3) |
| N2—C6 | 1.273 (3) | C9—H9 | 0.9500 |
| N2—N2ii | 1.403 (3) | C10—C11 | 1.389 (3) |
| N3—C11 | 1.333 (3) | C10—C12 | 1.459 (3) |
| N3—C7 | 1.346 (3) | C11—H11 | 0.9500 |
| N4—C12 | 1.276 (3) | C12—H12 | 0.9500 |
| N4—N4iii | 1.401 (4) | C13—C14 | 1.448 (3) |
| N5—C13 | 1.124 (3) | C14—H14A | 0.9800 |
| C1—C2 | 1.384 (3) | C14—H14B | 0.9800 |
| C1—H1 | 0.9500 | C14—H14C | 0.9800 |
| C2—C3 | 1.372 (3) | ||
| N1—Ag—N3 | 168.86 (7) | C2—C3—H3 | 120.9 |
| N1—Ag—N5 | 103.25 (7) | C4—C3—H3 | 120.9 |
| N3—Ag—N5 | 86.67 (7) | C5—C4—C3 | 118.59 (19) |
| N1—Ag—Agi | 101.63 (6) | C5—C4—C6 | 118.50 (18) |
| N3—Ag—Agi | 88.15 (6) | C3—C4—C6 | 122.90 (19) |
| N5—Ag—Agi | 54.97 (5) | N1—C5—C4 | 123.18 (19) |
| F4—P1—F3 | 90.61 (10) | N1—C5—H5 | 118.4 |
| F4—P1—F2 | 179.32 (9) | C4—C5—H5 | 118.4 |
| F3—P1—F2 | 89.86 (10) | N2—C6—C4 | 121.01 (19) |
| F4—P1—F5 | 91.01 (10) | N2—C6—H6 | 119.5 |
| F3—P1—F5 | 90.18 (9) | C4—C6—H6 | 119.5 |
| F2—P1—F5 | 89.48 (9) | N3—C7—C8 | 122.6 (2) |
| F4—P1—F6 | 89.61 (10) | N3—C7—H7 | 118.7 |
| F3—P1—F6 | 179.63 (9) | C8—C7—H7 | 118.7 |
| F2—P1—F6 | 89.93 (9) | C9—C8—C7 | 119.5 (2) |
| F5—P1—F6 | 89.52 (9) | C9—C8—H8 | 120.3 |
| F4—P1—F1 | 89.54 (10) | C7—C8—H8 | 120.3 |
| F3—P1—F1 | 89.92 (9) | C8—C9—C10 | 118.5 (2) |
| F2—P1—F1 | 89.98 (10) | C8—C9—H9 | 120.7 |
| F5—P1—F1 | 179.44 (10) | C10—C9—H9 | 120.7 |
| F6—P1—F1 | 90.38 (9) | C11—C10—C9 | 118.6 (2) |
| C5—N1—C1 | 117.55 (18) | C11—C10—C12 | 120.2 (2) |
| C5—N1—Ag | 120.78 (14) | C9—C10—C12 | 121.2 (2) |
| C1—N1—Ag | 121.66 (14) | N3—C11—C10 | 123.0 (2) |
| C6—N2—N2ii | 111.5 (2) | N3—C11—H11 | 118.5 |
| C11—N3—C7 | 117.88 (19) | C10—C11—H11 | 118.5 |
| C11—N3—Ag | 119.05 (15) | N4—C12—C10 | 119.9 (2) |
| C7—N3—Ag | 123.00 (15) | N4—C12—H12 | 120.1 |
| C12—N4—N4iii | 111.3 (2) | C10—C12—H12 | 120.1 |
| C13—N5—Ag | 132.65 (18) | N5—C13—C14 | 179.0 (3) |
| N1—C1—C2 | 122.9 (2) | C13—C14—H14A | 109.5 |
| N1—C1—H1 | 118.6 | C13—C14—H14B | 109.5 |
| C2—C1—H1 | 118.6 | H14A—C14—H14B | 109.5 |
| C3—C2—C1 | 119.6 (2) | C13—C14—H14C | 109.5 |
| C3—C2—H2 | 120.2 | H14A—C14—H14C | 109.5 |
| C1—C2—H2 | 120.2 | H14B—C14—H14C | 109.5 |
| C2—C3—C4 | 118.2 (2) | ||
| N3—Ag—N1—C5 | −88.2 (4) | C1—N1—C5—C4 | 0.6 (3) |
| N5—Ag—N1—C5 | 64.29 (16) | Ag—N1—C5—C4 | −179.35 (15) |
| Agi—Ag—N1—C5 | 120.67 (15) | C3—C4—C5—N1 | 1.1 (3) |
| N3—Ag—N1—C1 | 91.9 (4) | C6—C4—C5—N1 | 179.73 (18) |
| N5—Ag—N1—C1 | −115.62 (17) | N2ii—N2—C6—C4 | 179.41 (19) |
| Agi—Ag—N1—C1 | −59.24 (16) | C5—C4—C6—N2 | −175.40 (19) |
| N1—Ag—N3—C11 | −95.7 (4) | C3—C4—C6—N2 | 3.1 (3) |
| N5—Ag—N3—C11 | 111.04 (16) | C11—N3—C7—C8 | 0.2 (3) |
| Agi—Ag—N3—C11 | 56.03 (15) | Ag—N3—C7—C8 | −176.72 (17) |
| N1—Ag—N3—C7 | 81.2 (4) | N3—C7—C8—C9 | −0.4 (3) |
| N5—Ag—N3—C7 | −72.03 (18) | C7—C8—C9—C10 | −0.3 (3) |
| Agi—Ag—N3—C7 | −127.04 (17) | C8—C9—C10—C11 | 1.2 (3) |
| N1—Ag—N5—C13 | −69.2 (2) | C8—C9—C10—C12 | −178.1 (2) |
| N3—Ag—N5—C13 | 105.7 (2) | C7—N3—C11—C10 | 0.7 (3) |
| Agi—Ag—N5—C13 | −164.3 (2) | Ag—N3—C11—C10 | 177.80 (15) |
| C5—N1—C1—C2 | −1.4 (3) | C9—C10—C11—N3 | −1.4 (3) |
| Ag—N1—C1—C2 | 178.55 (16) | C12—C10—C11—N3 | 177.89 (19) |
| N1—C1—C2—C3 | 0.4 (3) | N4iii—N4—C12—C10 | −179.1 (2) |
| C1—C2—C3—C4 | 1.3 (3) | C11—C10—C12—N4 | −4.4 (3) |
| C2—C3—C4—C5 | −2.0 (3) | C9—C10—C12—N4 | 174.9 (2) |
| C2—C3—C4—C6 | 179.45 (18) |
| Symmetry codes: (i) −x, −y+2, −z; (ii) −x+1, −y+2, −z+1; (iii) −x, −y+2, −z−1. |
| D—H···A | D—H | H···A | D···A | D—H···A |
| C1—H1···F6iv | 0.95 | 2.50 | 3.182 (3) | 128 |
| C1—H1···N5i | 0.95 | 2.56 | 3.336 (3) | 138 |
| C2—H2···F2v | 0.95 | 2.48 | 3.174 (3) | 130 |
| C5—H5···F1 | 0.95 | 2.46 | 3.291 (3) | 146 |
| C5—H5···F6 | 0.95 | 2.53 | 3.318 (3) | 140 |
| C9—H9···F3vi | 0.95 | 2.51 | 3.160 (3) | 126 |
| C11—H11···N5i | 0.95 | 2.51 | 3.311 (3) | 142 |
| Symmetry codes: (iv) −x+1, −y+2, −z; (i) −x, −y+2, −z; (v) x, y+1, z; (vi) −x, −y+1, −z. |
| D—H···A | D—H | H···A | D···A | D—H···A |
| C1—H1···F6i | 0.95 | 2.50 | 3.182 (3) | 128 |
| C1—H1···N5ii | 0.95 | 2.56 | 3.336 (3) | 138 |
| C2—H2···F2iii | 0.95 | 2.48 | 3.174 (3) | 130 |
| C5—H5···F1 | 0.95 | 2.46 | 3.291 (3) | 146 |
| C5—H5···F6 | 0.95 | 2.53 | 3.318 (3) | 140 |
| C9—H9···F3iv | 0.95 | 2.51 | 3.160 (3) | 126 |
| C11—H11···N5ii | 0.95 | 2.51 | 3.311 (3) | 142 |
| Symmetry codes: (i) −x+1, −y+2, −z; (ii) −x, −y+2, −z; (iii) x, y+1, z; (iv) −x, −y+1, −z. |
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The structure of the title compound (I) was investigated as part of an on-going study of the structural chemistry of silver salts of the isomeric n-pyridinealdazine, n = 2, 3 and 4, molecules (Broker & Tiekink, 2007a-c).
Compound (I) features an Ag cation in a general position, two half 3-pyridinealdazine molecules, each disposed about a centre of inversion, an hexafluorophosphate anion and an acetonitrile solvent molecule, each in general positions (Fig. 1 & Table 1). The 3-pyridinealdazine molecule is bidentate bridging leading to a zigzag chain with a linear N2 coordination geometry for Ag.
The chains thus formed are linked via weakly bridging acetonitrile molecules with Ag···N5 and N5···Agi of 2.800 (3) and 2.826 (2) Å, respectively, as well as Ag···Agi interactions of 3.2590 (15) Å for (i): -x, 2 - y, -z. The topology of the resulting layer in the ac plane resembles a brick wall (Fig. 2).
The layers stack along the b axis and are interspersed by layers of PF6 anions. Various C—H···N and F interactions consolidate the structure (Fig. 3 & Table 2).
The zigzag topology found for the [Ag(C12H10N4)]n chain in (I) has precedents in the perchlorate, tetrafluoroborate salts (each as acetonitrile solvates) (Kennedy et al., 2005), and the methansulfonate salt (Broker & Tiekink, 2007c).