| Literature DB >> 21201369 |
B Ravindran Durai Nayagam, Samuel Robinson Jebas, Dieter Schollmeyer.
Abstract
In the crystal structure of the title complex, [Pt(C(5)H(4)NOS)(2)], the Pt atom is coordinated by two O atoms and two S atoms in a cis configuration, forming a distorted square-planar coordination geometry. The mol-ecule exhibits pseudo-C(2v) symmetry and is essentially planar, with a maximum deviation from planarity of 0.0124 (2) Å. The dihedral angle between the two pyridine rings is 5.85 (2)°.Entities:
Year: 2008 PMID: 21201369 PMCID: PMC2960410 DOI: 10.1107/S1600536808002006
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [Pt(C5H4NOS)2] | |
| Monoclinic, | Mo |
| Hall symbol: -P 2yn | Cell parameters from 9973 reflections |
| θ = 2.8–28º | |
| µ = 12.36 mm−1 | |
| β = 113.572 (3)º | Block, orange |
| 0.27 × 0.22 × 0.08 mm | |
| Bruker APEXII Kappa-CCD diffractometer | |
| CCD scan | θmax = 27.9º |
| Absorption correction: multi-scan(SADABS; Blessing, 1995, 1997) | θmin = 1.8º |
| 25638 measured reflections | |
| 2778 independent reflections | |
| 2610 reflections with |
| Refinement on | H-atom parameters constrained |
| Least-squares matrix: full | |
| (Δ/σ)max = 0.001 | |
| Δρmax = 1.73 e Å−3 | |
| Δρmin = −3.86 e Å−3 | |
| 2778 reflections | Extinction correction: none |
| 154 parameters |
| 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. |
| Pt1 | 0.75198 (6) | 0.117494 (18) | 0.60862 (6) | 0.03763 (14) | |
| N1 | 0.5870 (13) | 0.1570 (4) | 0.2386 (12) | 0.0373 (18) | |
| C2 | 0.5399 (16) | 0.1976 (5) | 0.1045 (15) | 0.042 (2) | |
| H2 | 0.5774 | 0.2384 | 0.1308 | 0.05* | |
| C3 | 0.4376 (18) | 0.1791 (6) | −0.0694 (17) | 0.050 (3) | |
| H3 | 0.4097 | 0.2066 | −0.165 | 0.059* | |
| C4 | 0.3746 (18) | 0.1195 (6) | −0.1053 (16) | 0.048 (3) | |
| H4 | 0.3007 | 0.1064 | −0.2251 | 0.058* | |
| C5 | 0.4207 (16) | 0.0803 (5) | 0.0340 (15) | 0.042 (2) | |
| H5 | 0.3772 | 0.0399 | 0.0102 | 0.05* | |
| C6 | 0.5318 (17) | 0.0990 (5) | 0.2124 (15) | 0.039 (2) | |
| O7 | 0.6952 (11) | 0.1788 (3) | 0.4073 (10) | 0.0380 (15) | |
| S8 | 0.5946 (4) | 0.05080 (12) | 0.3916 (4) | 0.0413 (6) | |
| N9 | 0.9639 (13) | 0.1639 (4) | 0.9685 (12) | 0.0378 (19) | |
| C10 | 1.0646 (17) | 0.2052 (5) | 1.0962 (16) | 0.042 (2) | |
| H10 | 1.0885 | 0.2441 | 1.0617 | 0.051* | |
| C11 | 1.1311 (17) | 0.1915 (5) | 1.2724 (16) | 0.044 (2) | |
| H11 | 1.1986 | 0.2208 | 1.3612 | 0.053* | |
| C12 | 1.0994 (17) | 0.1342 (5) | 1.3215 (15) | 0.043 (2) | |
| H12 | 1.147 | 0.1239 | 1.4445 | 0.051* | |
| C13 | 0.9994 (17) | 0.0921 (5) | 1.1923 (15) | 0.042 (2) | |
| H13 | 0.9763 | 0.053 | 1.2263 | 0.051* | |
| C14 | 0.9315 (16) | 0.1069 (5) | 1.0105 (14) | 0.038 (2) | |
| O15 | 0.8948 (11) | 0.1822 (3) | 0.7947 (9) | 0.0381 (16) | |
| S16 | 0.8174 (4) | 0.05572 (12) | 0.8401 (4) | 0.0394 (6) |
| Pt1 | 0.0364 (2) | 0.0382 (2) | 0.0391 (2) | 0.00055 (17) | 0.01591 (17) | 0.00058 (17) |
| N1 | 0.032 (4) | 0.039 (5) | 0.042 (5) | −0.002 (3) | 0.017 (4) | −0.001 (4) |
| C2 | 0.033 (5) | 0.049 (6) | 0.039 (6) | 0.006 (4) | 0.009 (4) | 0.011 (5) |
| C3 | 0.043 (6) | 0.063 (7) | 0.046 (7) | 0.003 (5) | 0.021 (5) | 0.013 (6) |
| C4 | 0.040 (6) | 0.062 (7) | 0.041 (6) | 0.001 (5) | 0.014 (5) | 0.000 (5) |
| C5 | 0.031 (5) | 0.056 (7) | 0.041 (6) | −0.003 (5) | 0.016 (4) | −0.003 (5) |
| C6 | 0.037 (5) | 0.041 (5) | 0.045 (6) | 0.001 (4) | 0.023 (5) | 0.000 (4) |
| O7 | 0.035 (4) | 0.043 (4) | 0.036 (4) | −0.003 (3) | 0.016 (3) | −0.002 (3) |
| S8 | 0.0440 (14) | 0.0404 (13) | 0.0391 (14) | −0.0015 (11) | 0.0164 (12) | 0.0009 (11) |
| N9 | 0.032 (4) | 0.041 (5) | 0.044 (5) | 0.002 (3) | 0.020 (4) | 0.000 (4) |
| C10 | 0.039 (6) | 0.039 (5) | 0.050 (7) | −0.001 (4) | 0.019 (5) | −0.003 (5) |
| C11 | 0.037 (6) | 0.050 (6) | 0.044 (6) | 0.000 (5) | 0.016 (5) | −0.009 (5) |
| C12 | 0.039 (6) | 0.052 (6) | 0.038 (6) | 0.003 (5) | 0.016 (5) | −0.001 (5) |
| C13 | 0.042 (6) | 0.047 (6) | 0.043 (6) | 0.004 (5) | 0.024 (5) | 0.007 (5) |
| C14 | 0.032 (5) | 0.044 (6) | 0.040 (6) | 0.001 (4) | 0.017 (4) | −0.001 (4) |
| O15 | 0.038 (4) | 0.042 (4) | 0.034 (4) | 0.000 (3) | 0.014 (3) | 0.005 (3) |
| S16 | 0.0399 (14) | 0.0399 (13) | 0.0381 (14) | −0.0016 (10) | 0.0154 (11) | −0.0001 (10) |
| Pt1—O15 | 2.045 (7) | N9—C14 | 1.364 (13) |
| Pt1—O7 | 2.052 (7) | C10—C11 | 1.356 (16) |
| Pt1—S16 | 2.234 (3) | C11—C12 | 1.389 (16) |
| Pt1—S8 | 2.239 (3) | C12—C13 | 1.376 (16) |
| N1—C6 | 1.348 (13) | C13—C14 | 1.403 (15) |
| N1—C2 | 1.357 (13) | C14—S16 | 1.730 (11) |
| N1—O7 | 1.367 (11) | C2—H2 | 0.9500 |
| C2—C3 | 1.372 (16) | C3—H3 | 0.9500 |
| C3—C4 | 1.399 (17) | C4—H4 | 0.9500 |
| C4—C5 | 1.367 (16) | C5—H5 | 0.9500 |
| C5—C6 | 1.410 (15) | C10—H10 | 0.9500 |
| C6—S8 | 1.725 (11) | C11—H11 | 0.9500 |
| N9—C10 | 1.359 (14) | C12—H12 | 0.9500 |
| N9—O15 | 1.363 (11) | C13—H13 | 0.9500 |
| O15—Pt1—O7 | 90.0 (3) | C10—N9—C14 | 122.1 (10) |
| O15—Pt1—S16 | 86.4 (2) | O15—N9—C14 | 121.0 (9) |
| O7—Pt1—S16 | 176.3 (2) | C11—C10—N9 | 120.6 (10) |
| O15—Pt1—S8 | 176.4 (2) | C10—C11—C12 | 119.2 (11) |
| O7—Pt1—S8 | 86.4 (2) | C13—C12—C11 | 120.2 (11) |
| S16—Pt1—S8 | 97.13 (10) | C12—C13—C14 | 120.0 (10) |
| C6—N1—C2 | 123.8 (10) | N9—C14—C13 | 117.8 (10) |
| C6—N1—O7 | 120.7 (9) | N9—C14—S16 | 119.2 (8) |
| C2—N1—O7 | 115.4 (9) | C13—C14—S16 | 122.9 (9) |
| N1—C2—C3 | 119.2 (11) | N9—O15—Pt1 | 115.1 (6) |
| C2—C3—C4 | 119.6 (11) | C14—S16—Pt1 | 98.1 (4) |
| C5—C4—C3 | 119.3 (11) | N1—C2—H2 | 120.0 |
| C4—C5—C6 | 121.0 (11) | C3—C2—H2 | 120.0 |
| N1—C6—C5 | 117.0 (10) | C2—C3—H3 | 120.0 |
| N1—C6—S8 | 120.6 (8) | C4—C3—H3 | 120.0 |
| C5—C6—S8 | 122.4 (9) | C3—C4—H4 | 120.0 |
| N1—O7—Pt1 | 114.7 (6) | C5—C4—H4 | 120.0 |
| C6—S8—Pt1 | 97.5 (4) | C4—C5—H5 | 119.0 |
| C10—N9—O15 | 116.8 (9) | C6—C5—H5 | 120.0 |
| Pt1—O15 | 2.045 (7) |
| Pt1—O7 | 2.052 (7) |
| Pt1—S16 | 2.234 (3) |
| Pt1—S8 | 2.239 (3) |
| O15—Pt1—O7 | 90.0 (3) |
| O15—Pt1—S16 | 86.4 (2) |
| O7—Pt1—S16 | 176.3 (2) |
| O15—Pt1—S8 | 176.4 (2) |
| O7—Pt1—S8 | 86.4 (2) |
| S16—Pt1—S8 | 97.13 (10) |