| Literature DB >> 21577418 |
Svitlana Orysyk1, Volodimir Bon, Vasily Pekhnyo.
Abstract
Yellow plate-like shaped crystals of the title compound, [Pd(C(9)H(10)N(3)S)(2)], were obtained by ligand-exchange reaction between palladium(II) acetyl-acetonate and the corresponding organic reagent at room temperature. The Pd(II) atom shows a slightly distorted square-planar coordination geometry consisting of two ligand mol-ecules in a cis conformation that bind in their thio-lic tautomeric form. Weak inter-molecular Pd⋯H inter-actions with Pd-H distances of 3.328 (2) Å were observed in the crystal structure. The three-dimensional network of the crystal structure is realized by weak inter-molecular C-H⋯N, N-H⋯N and C-H⋯S hydrogen bonds.Entities:
Year: 2009 PMID: 21577418 PMCID: PMC2970023 DOI: 10.1107/S1600536809029262
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Pd(C9H10N3S)2] | |
| Monoclinic, | Melting point: 343 K |
| Hall symbol: -P 2ybc | Mo |
| Cell parameters from 8451 reflections | |
| θ = 3.0–26.4° | |
| µ = 1.18 mm−1 | |
| β = 113.624 (2)° | |
| Plate, yellow | |
| 0.51 × 0.21 × 0.05 mm |
| Bruker APEXII CCD diffractometer | 4010 independent reflections |
| Radiation source: fine-focus sealed tube | 3522 reflections with |
| graphite | |
| Detector resolution: 8.26 pixels mm-1 | θmax = 26.4°, θmin = 2.0° |
| φ and ω scans | |
| Absorption correction: numerical ( | |
| 17417 measured reflections |
| Refinement on | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| Hydrogen site location: inferred from neighbouring sites | |
| H atoms treated by a mixture of independent and constrained refinement | |
| 4010 reflections | (Δ/σ)max = 0.001 |
| 272 parameters | Δρmax = 0.58 e Å−3 |
| 3 restraints | Δρmin = −0.37 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 |
| Occ. (<1) | |||||
| Pd1 | 0.504182 (15) | 0.273165 (18) | 0.331038 (7) | 0.02144 (6) | |
| S1 | 0.48920 (6) | 0.26120 (8) | 0.43136 (3) | 0.03554 (15) | |
| S2 | 0.72854 (5) | 0.24180 (7) | 0.38621 (3) | 0.02877 (13) | |
| N1 | 0.30161 (17) | 0.3217 (2) | 0.28592 (8) | 0.0226 (4) | |
| N2 | 0.22927 (17) | 0.1688 (2) | 0.35666 (9) | 0.0246 (4) | |
| N3 | 0.3409 (2) | 0.0682 (3) | 0.45961 (10) | 0.0356 (5) | |
| N4 | 0.52967 (17) | 0.26693 (19) | 0.24180 (8) | 0.0216 (4) | |
| N5 | 0.73705 (17) | 0.4037 (2) | 0.27993 (8) | 0.0238 (4) | |
| N6 | 0.88430 (19) | 0.4612 (2) | 0.38499 (10) | 0.0330 (5) | |
| C1 | 0.2066 (2) | 0.2704 (2) | 0.30613 (10) | 0.0231 (4) | |
| C2 | 0.0738 (2) | 0.3203 (3) | 0.27361 (11) | 0.0282 (5) | |
| H2A | 0.0067 | 0.2803 | 0.2862 | 0.034* | |
| C3 | 0.0396 (2) | 0.4252 (3) | 0.22420 (11) | 0.0303 (5) | |
| H3A | −0.0500 | 0.4600 | 0.2033 | 0.036* | |
| C4 | 0.1382 (2) | 0.4802 (3) | 0.20512 (11) | 0.0299 (5) | |
| H4A | 0.1177 | 0.5536 | 0.1710 | 0.036* | |
| C5 | 0.2656 (2) | 0.4259 (2) | 0.23664 (11) | 0.0268 (5) | |
| H5A | 0.3327 | 0.4633 | 0.2233 | 0.032* | |
| C6 | 0.3393 (2) | 0.1622 (3) | 0.41056 (10) | 0.0262 (5) | |
| C7 | 0.2192 (3) | 0.0080 (3) | 0.46317 (13) | 0.0396 (6) | |
| H7A | 0.2445 | −0.0645 | 0.5005 | 0.048* | |
| H7B | 0.1673 | −0.0461 | 0.4211 | 0.048* | |
| C8A | 0.1310 (4) | 0.1276 (5) | 0.4737 (2) | 0.0501 (10) | 0.711 (5) |
| H8AA | 0.0885 | 0.1963 | 0.4383 | 0.060* | 0.711 (5) |
| C9A | 0.1099 (12) | 0.1423 (10) | 0.5274 (5) | 0.0819 (19) | 0.711 (5) |
| H9AA | 0.1507 | 0.0755 | 0.5638 | 0.098* | 0.711 (5) |
| H9AB | 0.0534 | 0.2198 | 0.5307 | 0.098* | 0.711 (5) |
| C8B | 0.1993 (11) | 0.0863 (13) | 0.5186 (6) | 0.0501 (10) | 0.289 (5) |
| H8BA | 0.2630 | 0.0696 | 0.5630 | 0.060* | 0.289 (5) |
| C9B | 0.103 (3) | 0.173 (3) | 0.5105 (16) | 0.0819 (19) | 0.289 (5) |
| H9BA | 0.0377 | 0.1924 | 0.4668 | 0.098* | 0.289 (5) |
| H9BB | 0.0962 | 0.2199 | 0.5481 | 0.098* | 0.289 (5) |
| C10 | 0.6369 (2) | 0.3219 (2) | 0.23255 (10) | 0.0230 (4) | |
| C11 | 0.6465 (2) | 0.3015 (3) | 0.17078 (11) | 0.0332 (5) | |
| H11A | 0.7189 | 0.3452 | 0.1635 | 0.040* | |
| C12 | 0.5531 (3) | 0.2197 (3) | 0.12094 (12) | 0.0377 (6) | |
| H12A | 0.5613 | 0.2041 | 0.0797 | 0.045* | |
| C13 | 0.4457 (2) | 0.1597 (3) | 0.13180 (11) | 0.0350 (5) | |
| H13A | 0.3798 | 0.1013 | 0.0984 | 0.042* | |
| C14 | 0.4373 (2) | 0.1868 (3) | 0.19154 (11) | 0.0289 (5) | |
| H14A | 0.3628 | 0.1476 | 0.1984 | 0.035* | |
| C15 | 0.7807 (2) | 0.3775 (2) | 0.34392 (10) | 0.0240 (4) | |
| C16 | 0.9495 (2) | 0.5766 (3) | 0.36190 (13) | 0.0380 (6) | |
| H16A | 0.9016 | 0.6715 | 0.3598 | 0.046* | |
| H16B | 0.9375 | 0.5515 | 0.3156 | 0.046* | |
| C17A | 1.0931 (6) | 0.6027 (8) | 0.4014 (4) | 0.0486 (15) | 0.700 (9) |
| H17A | 1.1296 | 0.6914 | 0.3918 | 0.058* | 0.700 (9) |
| C18A | 1.1731 (5) | 0.5195 (7) | 0.4466 (3) | 0.0540 (13) | 0.700 (9) |
| H18A | 1.1419 | 0.4294 | 0.4581 | 0.065* | 0.700 (9) |
| H18B | 1.2645 | 0.5473 | 0.4691 | 0.065* | 0.700 (9) |
| C17B | 1.0811 (14) | 0.6032 (17) | 0.4263 (6) | 0.037 (3) | 0.300 (9) |
| H17B | 1.0745 | 0.6469 | 0.4645 | 0.044* | 0.300 (9) |
| C18B | 1.2000 (13) | 0.5671 (16) | 0.4290 (7) | 0.0540 (13) | 0.300 (9) |
| H18C | 1.2085 | 0.5233 | 0.3912 | 0.065* | 0.300 (9) |
| H18D | 1.2775 | 0.5847 | 0.4687 | 0.065* | 0.300 (9) |
| H6N | 0.904 (2) | 0.452 (3) | 0.4237 (13) | 0.027 (7)* | |
| H3N | 0.404 (3) | 0.072 (3) | 0.4936 (13) | 0.038 (8)* |
| Pd1 | 0.01747 (9) | 0.02785 (10) | 0.01790 (9) | −0.00036 (7) | 0.00594 (6) | 0.00161 (6) |
| S1 | 0.0235 (3) | 0.0626 (4) | 0.0191 (3) | −0.0085 (3) | 0.0070 (2) | −0.0001 (3) |
| S2 | 0.0197 (3) | 0.0401 (3) | 0.0239 (3) | 0.0029 (2) | 0.0061 (2) | 0.0081 (2) |
| N1 | 0.0208 (9) | 0.0246 (9) | 0.0209 (9) | 0.0000 (7) | 0.0067 (7) | 0.0016 (7) |
| N2 | 0.0226 (9) | 0.0260 (9) | 0.0244 (9) | −0.0010 (8) | 0.0086 (7) | 0.0030 (7) |
| N3 | 0.0307 (11) | 0.0493 (13) | 0.0246 (10) | 0.0025 (10) | 0.0089 (9) | 0.0118 (9) |
| N4 | 0.0207 (9) | 0.0228 (9) | 0.0203 (9) | −0.0008 (7) | 0.0071 (7) | 0.0007 (7) |
| N5 | 0.0204 (9) | 0.0259 (10) | 0.0247 (9) | −0.0012 (7) | 0.0084 (7) | 0.0003 (7) |
| N6 | 0.0257 (11) | 0.0419 (12) | 0.0250 (11) | −0.0068 (9) | 0.0035 (9) | −0.0041 (9) |
| C1 | 0.0230 (11) | 0.0212 (10) | 0.0240 (10) | −0.0029 (9) | 0.0082 (9) | −0.0029 (8) |
| C2 | 0.0198 (11) | 0.0314 (12) | 0.0317 (12) | −0.0025 (9) | 0.0086 (9) | 0.0007 (9) |
| C3 | 0.0205 (11) | 0.0319 (13) | 0.0320 (12) | 0.0035 (9) | 0.0038 (9) | 0.0020 (10) |
| C4 | 0.0302 (12) | 0.0273 (12) | 0.0272 (11) | 0.0008 (10) | 0.0064 (9) | 0.0053 (9) |
| C5 | 0.0253 (11) | 0.0292 (12) | 0.0253 (11) | −0.0022 (9) | 0.0093 (9) | 0.0022 (9) |
| C6 | 0.0241 (11) | 0.0323 (12) | 0.0244 (11) | 0.0032 (9) | 0.0120 (9) | 0.0011 (9) |
| C7 | 0.0474 (16) | 0.0395 (14) | 0.0343 (13) | −0.0108 (12) | 0.0188 (12) | 0.0048 (11) |
| C8A | 0.042 (2) | 0.068 (3) | 0.049 (2) | 0.0008 (19) | 0.0275 (18) | 0.005 (2) |
| C9A | 0.133 (4) | 0.060 (5) | 0.081 (7) | 0.006 (4) | 0.072 (5) | 0.018 (3) |
| C8B | 0.042 (2) | 0.068 (3) | 0.049 (2) | 0.0008 (19) | 0.0275 (18) | 0.005 (2) |
| C9B | 0.133 (4) | 0.060 (5) | 0.081 (7) | 0.006 (4) | 0.072 (5) | 0.018 (3) |
| C10 | 0.0230 (11) | 0.0209 (10) | 0.0247 (10) | 0.0013 (8) | 0.0091 (9) | 0.0024 (8) |
| C11 | 0.0315 (13) | 0.0446 (15) | 0.0269 (12) | −0.0040 (11) | 0.0153 (10) | 0.0024 (10) |
| C12 | 0.0433 (15) | 0.0479 (15) | 0.0233 (12) | −0.0028 (12) | 0.0148 (11) | −0.0041 (10) |
| C13 | 0.0388 (14) | 0.0365 (14) | 0.0238 (11) | −0.0081 (11) | 0.0064 (10) | −0.0074 (10) |
| C14 | 0.0263 (12) | 0.0299 (12) | 0.0275 (11) | −0.0055 (10) | 0.0077 (9) | −0.0019 (9) |
| C15 | 0.0191 (10) | 0.0245 (11) | 0.0281 (11) | 0.0034 (9) | 0.0094 (9) | −0.0023 (9) |
| C16 | 0.0321 (13) | 0.0382 (14) | 0.0427 (14) | −0.0109 (11) | 0.0139 (11) | −0.0101 (11) |
| C17A | 0.033 (3) | 0.045 (3) | 0.063 (4) | −0.013 (2) | 0.014 (3) | −0.002 (3) |
| C18A | 0.038 (3) | 0.059 (4) | 0.054 (3) | −0.009 (2) | 0.0074 (19) | 0.005 (2) |
| C17B | 0.039 (6) | 0.035 (5) | 0.045 (7) | −0.015 (4) | 0.026 (6) | −0.011 (5) |
| C18B | 0.038 (3) | 0.059 (4) | 0.054 (3) | −0.009 (2) | 0.0074 (19) | 0.005 (2) |
| Pd1—N1 | 2.0713 (17) | C7—H7A | 0.9900 |
| Pd1—N4 | 2.0730 (17) | C7—H7B | 0.9900 |
| Pd1—S1 | 2.2598 (6) | C8A—C9A | 1.288 (7) |
| Pd1—S2 | 2.2686 (6) | C8A—H8AA | 0.9500 |
| S1—C6 | 1.752 (2) | C9A—H9AA | 0.9500 |
| S2—C15 | 1.753 (2) | C9A—H9AB | 0.9500 |
| N1—C1 | 1.358 (3) | C8B—C9B | 1.261 (17) |
| N1—C5 | 1.358 (3) | C8B—H8BA | 0.9500 |
| N2—C6 | 1.301 (3) | C9B—H9BA | 0.9500 |
| N2—C1 | 1.374 (3) | C9B—H9BB | 0.9500 |
| N3—C6 | 1.357 (3) | C10—C11 | 1.404 (3) |
| N3—C7 | 1.463 (3) | C11—C12 | 1.367 (3) |
| N3—H3N | 0.78 (3) | C11—H11A | 0.9500 |
| N4—C10 | 1.355 (3) | C12—C13 | 1.392 (4) |
| N4—C14 | 1.359 (3) | C12—H12A | 0.9500 |
| N5—C15 | 1.302 (3) | C13—C14 | 1.363 (3) |
| N5—C10 | 1.376 (3) | C13—H13A | 0.9500 |
| N6—C15 | 1.353 (3) | C14—H14A | 0.9500 |
| N6—C16 | 1.455 (3) | C16—C17A | 1.471 (7) |
| N6—H6N | 0.79 (2) | C16—C17B | 1.572 (13) |
| C1—C2 | 1.405 (3) | C16—H16A | 0.9900 |
| C2—C3 | 1.365 (3) | C16—H16B | 0.9900 |
| C2—H2A | 0.9500 | C17A—C18A | 1.265 (9) |
| C3—C4 | 1.389 (3) | C17A—H17A | 0.9500 |
| C3—H3A | 0.9500 | C18A—H18A | 0.9500 |
| C4—C5 | 1.368 (3) | C18A—H18B | 0.9500 |
| C4—H4A | 0.9500 | C17B—C18B | 1.31 (2) |
| C5—H5A | 0.9500 | C17B—H17B | 0.9500 |
| C7—C8B | 1.487 (11) | C18B—H18C | 0.9500 |
| C7—C8A | 1.519 (5) | C18B—H18D | 0.9500 |
| N1—Pd1—N4 | 94.48 (7) | C9A—C8A—H8AA | 117.8 |
| N1—Pd1—S1 | 89.59 (5) | C7—C8A—H8AA | 117.8 |
| N4—Pd1—S1 | 174.63 (5) | C8A—C9A—H9AA | 120.0 |
| N1—Pd1—S2 | 174.24 (5) | C8A—C9A—H9AB | 120.0 |
| N4—Pd1—S2 | 88.44 (5) | H9AA—C9A—H9AB | 120.0 |
| S1—Pd1—S2 | 87.80 (2) | C9B—C8B—C7 | 124.2 (18) |
| C6—S1—Pd1 | 101.25 (7) | C9B—C8B—H8BA | 117.9 |
| C15—S2—Pd1 | 98.20 (7) | C7—C8B—H8BA | 117.9 |
| C1—N1—C5 | 118.27 (18) | C8B—C9B—H9BA | 120.0 |
| C1—N1—Pd1 | 125.52 (14) | C8B—C9B—H9BB | 120.0 |
| C5—N1—Pd1 | 115.82 (14) | H9BA—C9B—H9BB | 120.0 |
| C6—N2—C1 | 123.98 (19) | N4—C10—N5 | 123.65 (18) |
| C6—N3—C7 | 123.1 (2) | N4—C10—C11 | 119.71 (19) |
| C6—N3—H3N | 116 (2) | N5—C10—C11 | 116.58 (19) |
| C7—N3—H3N | 116 (2) | C12—C11—C10 | 120.9 (2) |
| C10—N4—C14 | 118.47 (18) | C12—C11—H11A | 119.5 |
| C10—N4—Pd1 | 125.27 (14) | C10—C11—H11A | 119.5 |
| C14—N4—Pd1 | 115.87 (14) | C11—C12—C13 | 118.8 (2) |
| C15—N5—C10 | 123.16 (18) | C11—C12—H12A | 120.6 |
| C15—N6—C16 | 124.1 (2) | C13—C12—H12A | 120.6 |
| C15—N6—H6N | 116.6 (18) | C14—C13—C12 | 118.5 (2) |
| C16—N6—H6N | 118.9 (18) | C14—C13—H13A | 120.8 |
| N1—C1—N2 | 124.70 (19) | C12—C13—H13A | 120.8 |
| N1—C1—C2 | 119.55 (19) | N4—C14—C13 | 123.6 (2) |
| N2—C1—C2 | 115.73 (19) | N4—C14—H14A | 118.2 |
| C3—C2—C1 | 121.2 (2) | C13—C14—H14A | 118.2 |
| C3—C2—H2A | 119.4 | N5—C15—N6 | 117.3 (2) |
| C1—C2—H2A | 119.4 | N5—C15—S2 | 129.22 (17) |
| C2—C3—C4 | 118.8 (2) | N6—C15—S2 | 113.46 (16) |
| C2—C3—H3A | 120.6 | N6—C16—C17A | 117.6 (3) |
| C4—C3—H3A | 120.6 | N6—C16—C17B | 101.3 (5) |
| C5—C4—C3 | 118.3 (2) | N6—C16—H16A | 107.9 |
| C5—C4—H4A | 120.8 | C17A—C16—H16A | 107.9 |
| C3—C4—H4A | 120.8 | C17B—C16—H16A | 100.7 |
| N1—C5—C4 | 123.8 (2) | N6—C16—H16B | 107.9 |
| N1—C5—H5A | 118.1 | C17A—C16—H16B | 107.9 |
| C4—C5—H5A | 118.1 | C17B—C16—H16B | 130.2 |
| N2—C6—N3 | 117.1 (2) | H16A—C16—H16B | 107.2 |
| N2—C6—S1 | 129.58 (17) | C18A—C17A—C16 | 127.0 (6) |
| N3—C6—S1 | 113.29 (17) | C18A—C17A—H17A | 116.5 |
| N3—C7—C8B | 107.4 (4) | C16—C17A—H17A | 116.5 |
| N3—C7—C8A | 112.9 (2) | C17A—C18A—H18A | 120.0 |
| N3—C7—H7A | 109.0 | C17A—C18A—H18B | 120.0 |
| C8B—C7—H7A | 74.1 | H18A—C18A—H18B | 120.0 |
| C8A—C7—H7A | 109.0 | C18B—C17B—C16 | 122.2 (12) |
| N3—C7—H7B | 109.0 | C18B—C17B—H17B | 118.9 |
| C8B—C7—H7B | 140.3 | C16—C17B—H17B | 118.9 |
| C8A—C7—H7B | 109.0 | C17B—C18B—H18C | 120.0 |
| H7A—C7—H7B | 107.8 | C17B—C18B—H18D | 120.0 |
| C9A—C8A—C7 | 124.3 (5) | H18C—C18B—H18D | 120.0 |
| N1—Pd1—S1—C6 | 42.71 (9) | C6—N3—C7—C8B | −106.2 (5) |
| S2—Pd1—S1—C6 | −142.43 (8) | C6—N3—C7—C8A | −63.7 (3) |
| N4—Pd1—S2—C15 | 47.84 (9) | N3—C7—C8A—C9A | −112.2 (8) |
| S1—Pd1—S2—C15 | −136.00 (7) | C8B—C7—C8A—C9A | −22.0 (10) |
| N4—Pd1—N1—C1 | 143.98 (17) | N3—C7—C8B—C9B | 113.5 (19) |
| S1—Pd1—N1—C1 | −32.53 (17) | C8A—C7—C8B—C9B | 8.4 (18) |
| N4—Pd1—N1—C5 | −43.35 (16) | C14—N4—C10—N5 | −179.6 (2) |
| S1—Pd1—N1—C5 | 140.15 (15) | Pd1—N4—C10—N5 | −7.2 (3) |
| N1—Pd1—N4—C10 | 140.26 (17) | C14—N4—C10—C11 | 3.2 (3) |
| S2—Pd1—N4—C10 | −34.78 (16) | Pd1—N4—C10—C11 | 175.61 (16) |
| N1—Pd1—N4—C14 | −47.14 (16) | C15—N5—C10—N4 | 36.3 (3) |
| S2—Pd1—N4—C14 | 137.82 (15) | C15—N5—C10—C11 | −146.4 (2) |
| C5—N1—C1—N2 | −177.9 (2) | N4—C10—C11—C12 | −3.8 (4) |
| Pd1—N1—C1—N2 | −5.4 (3) | N5—C10—C11—C12 | 178.9 (2) |
| C5—N1—C1—C2 | 3.2 (3) | C10—C11—C12—C13 | 1.7 (4) |
| Pd1—N1—C1—C2 | 175.69 (15) | C11—C12—C13—C14 | 0.8 (4) |
| C6—N2—C1—N1 | 35.3 (3) | C10—N4—C14—C13 | −0.7 (3) |
| C6—N2—C1—C2 | −145.8 (2) | Pd1—N4—C14—C13 | −173.80 (19) |
| N1—C1—C2—C3 | −3.3 (3) | C12—C13—C14—N4 | −1.4 (4) |
| N2—C1—C2—C3 | 177.6 (2) | C10—N5—C15—N6 | 176.7 (2) |
| C1—C2—C3—C4 | 1.5 (3) | C10—N5—C15—S2 | −0.6 (3) |
| C2—C3—C4—C5 | 0.3 (3) | C16—N6—C15—N5 | −0.5 (3) |
| C1—N1—C5—C4 | −1.4 (3) | C16—N6—C15—S2 | 177.21 (18) |
| Pd1—N1—C5—C4 | −174.65 (18) | Pd1—S2—C15—N5 | −45.9 (2) |
| C3—C4—C5—N1 | −0.4 (4) | Pd1—S2—C15—N6 | 136.77 (15) |
| C1—N2—C6—N3 | 172.1 (2) | C15—N6—C16—C17A | −148.5 (4) |
| C1—N2—C6—S1 | −6.3 (3) | C15—N6—C16—C17B | −165.4 (6) |
| C7—N3—C6—N2 | −17.4 (3) | N6—C16—C17A—C18A | 13.5 (10) |
| C7—N3—C6—S1 | 161.29 (19) | C17B—C16—C17A—C18A | 61.2 (18) |
| Pd1—S1—C6—N2 | −37.2 (2) | N6—C16—C17B—C18B | 112.2 (14) |
| Pd1—S1—C6—N3 | 144.37 (16) | C17A—C16—C17B—C18B | −25.9 (13) |
| H··· | ||||
| C3—H3A···N2i | 0.95 | 2.64 | 3.511 (3) | 152 |
| C14—H14A···N5ii | 0.95 | 2.57 | 3.376 (3) | 143 |
| N3—H3N···N3iii | 0.78 (3) | 2.84 (3) | 3.425 (4) | 133 (2) |
| C4—H4A···S2iv | 0.95 | 2.98 | 3.728 (2) | 136 |
| C12—H12A···S1v | 0.95 | 3.02 | 3.910 (2) | 156 |
| C18B—H18D···S1vi | 0.95 | 2.95 | 3.85 (1) | 160 |
| C7—H7A···S2iii | 0.99 | 2.85 | 3.825 (3) | 167 |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| C3—H3 | 0.95 | 2.64 | 3.511 (3) | 152 |
| C14—H14 | 0.95 | 2.57 | 3.376 (3) | 143 |
| N3—H3 | 0.78 (3) | 2.84 (3) | 3.425 (4) | 133 (2) |
| C4—H4 | 0.95 | 2.98 | 3.728 (2) | 136 |
| C12—H12 | 0.95 | 3.02 | 3.910 (2) | 156 |
| C18 | 0.95 | 2.95 | 3.85 (1) | 160 |
| C7—H7 | 0.99 | 2.85 | 3.825 (3) | 167 |
Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) ; (vi) .