metal-organic compounds
Dichloridobis(pyridine-2-carboxylato-κ2N,O)platinum(IV) acetonitrile solvate
aSchool of Applied Chemical Engineering, The Research Institute of Catalysis, Chonnam National University, Gwangju 500-757, Republic of Korea, and bInstitute of Basic Sciences, Pohang University of Science and Technology, Pohang 790-784, Republic of Korea
*Correspondence e-mail: hakwang@chonnam.ac.kr
The 2(C6H4NO2)2]·CH3CN, contains a neutral PtIV complex and an acetonitrile solvent molecule. In the complex, the Pt4+ atom is six-coordinated in a distorted octahedral environment by two N atoms and two O atoms from two pyridinecarboxylate (pic) ligands and two Cl atoms. The Cl atoms are cis with respect to each other. The compound displays inter- and intramolecular C—H⋯O and C—H⋯Cl hydrogen bonding.
of the title compound, [PtClRelated literature
For the synthesis and structure of the Pt(IV)-pic complex, [PtCl4(pic)]−, see: Griffith et al. (2005). For a related Pt(II)-dipicolinate complex, see: Goodgame et al. (1995).
Experimental
Crystal data
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Refinement
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Data collection: SMART (Bruker, 2000); cell SAINT (Bruker, 2000); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997) and PLATON (Spek, 2009); software used to prepare material for publication: SHELXL97.
Supporting information
10.1107/S1600536809017966/bt2950sup1.cif
contains datablocks global, I. DOI:Structure factors: contains datablock I. DOI: 10.1107/S1600536809017966/bt2950Isup2.hkl
A suspension of K2PtCl6 (0.2148 g, 0.442 mmol) and pyridine-2-carboxylic acid (0.2000 g, 1.459 mmol) in H2O (10 ml) was refluxed for 5 h. The formed precipitate was separated by filtration and washed with water (20 ml) and dried under vacuum, to give a pale green powder (0.2304 g). Colorless crystals suitable for X-ray analysis were obtained by slow evaporation from a CH3CN solution.
H atoms were positioned geometrically and allowed to ride on their respective parent atoms [C—H = 0.93 (aromatic) or 0.96 Å (CH3) and Uiso(H) = 1.2Ueq(C) or 1.5Ueq(methyl C)].
Data collection: SMART (Bruker, 2000); cell
SAINT (Bruker, 2000); data reduction: SAINT (Bruker, 2000); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997) and PLATON (Spek, 2009); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).Fig. 1. The structure of the title compound, with displacement ellipsoids drawn at the 30% probability level for non-H atoms. | |
Fig. 2. View of the unit-cell contents of the title compound. Hydrogen-bond interactions are drawn with dashed lines. |
[PtCl2(C6H4NO2)2]·C2H3N | F(000) = 1040 |
Mr = 551.25 | Dx = 2.182 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 979 reflections |
a = 6.103 (3) Å | θ = 2.5–25.9° |
b = 27.988 (12) Å | µ = 8.71 mm−1 |
c = 9.823 (4) Å | T = 293 K |
β = 91.076 (7)° | Stick, colorless |
V = 1677.7 (12) Å3 | 0.20 × 0.15 × 0.15 mm |
Z = 4 |
Bruker SMART 1000 CCD diffractometer | 3437 independent reflections |
Radiation source: fine-focus sealed tube | 3051 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.025 |
ϕ and ω scans | θmax = 26.4°, θmin = 1.5° |
Absorption correction: multi-scan (SADABS; Bruker, 2000) | h = −6→7 |
Tmin = 0.203, Tmax = 0.271 | k = −35→33 |
9732 measured reflections | l = −12→12 |
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)] = 0.023 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.052 | H-atom parameters constrained |
S = 1.11 | w = 1/[σ2(Fo2) + (0.0126P)2 + 3.1343P] where P = (Fo2 + 2Fc2)/3 |
3437 reflections | (Δ/σ)max = 0.001 |
218 parameters | Δρmax = 1.04 e Å−3 |
0 restraints | Δρmin = −0.58 e Å−3 |
[PtCl2(C6H4NO2)2]·C2H3N | V = 1677.7 (12) Å3 |
Mr = 551.25 | Z = 4 |
Monoclinic, P21/c | Mo Kα radiation |
a = 6.103 (3) Å | µ = 8.71 mm−1 |
b = 27.988 (12) Å | T = 293 K |
c = 9.823 (4) Å | 0.20 × 0.15 × 0.15 mm |
β = 91.076 (7)° |
Bruker SMART 1000 CCD diffractometer | 3437 independent reflections |
Absorption correction: multi-scan (SADABS; Bruker, 2000) | 3051 reflections with I > 2σ(I) |
Tmin = 0.203, Tmax = 0.271 | Rint = 0.025 |
9732 measured reflections |
R[F2 > 2σ(F2)] = 0.023 | 0 restraints |
wR(F2) = 0.052 | H-atom parameters constrained |
S = 1.11 | Δρmax = 1.04 e Å−3 |
3437 reflections | Δρmin = −0.58 e Å−3 |
218 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. |
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 | ||
Pt1 | 0.67421 (3) | 0.119200 (6) | 0.082756 (17) | 0.03061 (6) | |
Cl1 | 0.47415 (19) | 0.06563 (4) | −0.04645 (12) | 0.0421 (3) | |
Cl2 | 0.9275 (2) | 0.12741 (4) | −0.08481 (13) | 0.0454 (3) | |
O1 | 0.5138 (5) | 0.17577 (11) | 0.0066 (3) | 0.0444 (8) | |
O2 | 0.4983 (9) | 0.25418 (14) | 0.0228 (6) | 0.0971 (19) | |
O3 | 0.4557 (5) | 0.11261 (11) | 0.2338 (3) | 0.0389 (7) | |
O4 | 0.3574 (6) | 0.06264 (14) | 0.3949 (4) | 0.0533 (10) | |
N1 | 0.8376 (6) | 0.17036 (13) | 0.1894 (4) | 0.0336 (8) | |
N2 | 0.8101 (6) | 0.06220 (12) | 0.1765 (4) | 0.0297 (8) | |
C1 | 1.0064 (8) | 0.16447 (16) | 0.2751 (5) | 0.0410 (11) | |
H1 | 1.0535 | 0.1337 | 0.2961 | 0.049* | |
C2 | 1.1128 (9) | 0.20275 (18) | 0.3335 (5) | 0.0504 (14) | |
H2 | 1.2320 | 0.1980 | 0.3923 | 0.060* | |
C3 | 1.0415 (10) | 0.2478 (2) | 0.3040 (6) | 0.0610 (16) | |
H3 | 1.1108 | 0.2743 | 0.3428 | 0.073* | |
C4 | 0.8651 (11) | 0.25356 (19) | 0.2158 (7) | 0.0680 (19) | |
H4 | 0.8137 | 0.2841 | 0.1957 | 0.082* | |
C5 | 0.7654 (9) | 0.21476 (17) | 0.1578 (5) | 0.0452 (12) | |
C6 | 0.5793 (10) | 0.21694 (19) | 0.0564 (6) | 0.0550 (15) | |
C7 | 0.9907 (8) | 0.03922 (17) | 0.1407 (5) | 0.0380 (11) | |
H7 | 1.0735 | 0.0509 | 0.0695 | 0.046* | |
C8 | 1.0567 (9) | −0.00183 (17) | 0.2081 (5) | 0.0451 (12) | |
H8 | 1.1841 | −0.0176 | 0.1832 | 0.054* | |
C9 | 0.9325 (10) | −0.01915 (18) | 0.3122 (6) | 0.0520 (14) | |
H9 | 0.9745 | −0.0468 | 0.3581 | 0.062* | |
C10 | 0.7448 (9) | 0.00483 (18) | 0.3481 (5) | 0.0476 (13) | |
H10 | 0.6595 | −0.0064 | 0.4187 | 0.057* | |
C11 | 0.6848 (7) | 0.04566 (16) | 0.2781 (4) | 0.0341 (10) | |
C12 | 0.4840 (8) | 0.07409 (17) | 0.3081 (5) | 0.0386 (11) | |
N3 | 0.7810 (12) | 0.1214 (2) | 0.5485 (7) | 0.091 (2) | |
C13 | 0.4113 (12) | 0.1411 (2) | 0.6554 (7) | 0.0761 (19) | |
H13A | 0.3723 | 0.1734 | 0.6331 | 0.114* | |
H13B | 0.4226 | 0.1376 | 0.7525 | 0.114* | |
H13C | 0.3007 | 0.1198 | 0.6201 | 0.114* | |
C14 | 0.6175 (14) | 0.1297 (2) | 0.5963 (7) | 0.0677 (18) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pt1 | 0.02912 (10) | 0.02809 (10) | 0.03449 (10) | 0.00214 (7) | −0.00261 (7) | 0.00113 (7) |
Cl1 | 0.0381 (6) | 0.0414 (6) | 0.0465 (7) | −0.0055 (5) | −0.0040 (5) | −0.0048 (5) |
Cl2 | 0.0479 (7) | 0.0448 (7) | 0.0439 (7) | −0.0037 (5) | 0.0083 (5) | 0.0066 (5) |
O1 | 0.044 (2) | 0.0332 (18) | 0.055 (2) | 0.0085 (15) | −0.0173 (17) | 0.0024 (15) |
O2 | 0.122 (4) | 0.035 (2) | 0.131 (4) | 0.026 (2) | −0.079 (4) | −0.002 (2) |
O3 | 0.0307 (17) | 0.0435 (18) | 0.0428 (19) | 0.0064 (14) | 0.0072 (14) | −0.0001 (15) |
O4 | 0.048 (2) | 0.063 (2) | 0.049 (2) | −0.0049 (18) | 0.0169 (18) | −0.0001 (18) |
N1 | 0.033 (2) | 0.030 (2) | 0.037 (2) | 0.0027 (16) | −0.0055 (17) | −0.0021 (16) |
N2 | 0.031 (2) | 0.0259 (18) | 0.0325 (19) | 0.0037 (15) | −0.0014 (16) | −0.0002 (15) |
C1 | 0.040 (3) | 0.031 (2) | 0.052 (3) | 0.002 (2) | −0.009 (2) | 0.001 (2) |
C2 | 0.051 (3) | 0.044 (3) | 0.055 (3) | −0.002 (2) | −0.019 (3) | −0.006 (2) |
C3 | 0.069 (4) | 0.039 (3) | 0.074 (4) | −0.005 (3) | −0.023 (3) | −0.010 (3) |
C4 | 0.084 (5) | 0.027 (3) | 0.092 (5) | 0.009 (3) | −0.031 (4) | −0.009 (3) |
C5 | 0.052 (3) | 0.030 (3) | 0.053 (3) | 0.010 (2) | −0.013 (3) | 0.000 (2) |
C6 | 0.064 (4) | 0.036 (3) | 0.064 (4) | 0.013 (3) | −0.024 (3) | 0.001 (3) |
C7 | 0.036 (3) | 0.038 (3) | 0.040 (3) | 0.003 (2) | 0.003 (2) | −0.002 (2) |
C8 | 0.044 (3) | 0.037 (3) | 0.055 (3) | 0.010 (2) | −0.007 (2) | −0.004 (2) |
C9 | 0.065 (4) | 0.034 (3) | 0.057 (3) | 0.004 (3) | −0.011 (3) | 0.006 (2) |
C10 | 0.060 (4) | 0.042 (3) | 0.041 (3) | −0.002 (3) | 0.002 (3) | 0.012 (2) |
C11 | 0.036 (3) | 0.035 (2) | 0.032 (2) | −0.005 (2) | −0.001 (2) | 0.0020 (19) |
C12 | 0.038 (3) | 0.043 (3) | 0.035 (3) | −0.003 (2) | 0.002 (2) | −0.009 (2) |
N3 | 0.097 (5) | 0.099 (5) | 0.078 (4) | 0.003 (4) | −0.014 (4) | −0.009 (4) |
C13 | 0.097 (6) | 0.065 (4) | 0.067 (4) | −0.004 (4) | 0.001 (4) | 0.012 (3) |
C14 | 0.092 (6) | 0.057 (4) | 0.053 (4) | −0.002 (4) | −0.017 (4) | −0.002 (3) |
Pt1—O1 | 1.999 (3) | C3—H3 | 0.9300 |
Pt1—N2 | 2.013 (3) | C4—C5 | 1.364 (7) |
Pt1—O3 | 2.022 (3) | C4—H4 | 0.9300 |
Pt1—N1 | 2.025 (4) | C5—C6 | 1.498 (7) |
Pt1—Cl2 | 2.2910 (14) | C7—C8 | 1.382 (6) |
Pt1—Cl1 | 2.3003 (13) | C7—H7 | 0.9300 |
O1—C6 | 1.311 (6) | C8—C9 | 1.373 (7) |
O2—C6 | 1.197 (6) | C8—H8 | 0.9300 |
O3—C12 | 1.312 (6) | C9—C10 | 1.379 (7) |
O4—C12 | 1.205 (6) | C9—H9 | 0.9300 |
N1—C1 | 1.328 (6) | C10—C11 | 1.379 (6) |
N1—C5 | 1.352 (6) | C10—H10 | 0.9300 |
N2—C7 | 1.329 (6) | C11—C12 | 1.495 (6) |
N2—C11 | 1.350 (5) | N3—C14 | 1.134 (10) |
C1—C2 | 1.373 (6) | C13—C14 | 1.432 (10) |
C1—H1 | 0.9300 | C13—H13A | 0.9600 |
C2—C3 | 1.364 (7) | C13—H13B | 0.9600 |
C2—H2 | 0.9300 | C13—H13C | 0.9600 |
C3—C4 | 1.379 (8) | ||
O1—Pt1—N2 | 173.39 (14) | C5—C4—H4 | 119.8 |
O1—Pt1—O3 | 91.24 (14) | C3—C4—H4 | 119.8 |
N2—Pt1—O3 | 82.16 (13) | N1—C5—C4 | 119.7 (5) |
O1—Pt1—N1 | 82.32 (14) | N1—C5—C6 | 115.4 (4) |
N2—Pt1—N1 | 97.41 (15) | C4—C5—C6 | 124.9 (5) |
O3—Pt1—N1 | 90.57 (14) | O2—C6—O1 | 122.7 (5) |
O1—Pt1—Cl2 | 89.09 (11) | O2—C6—C5 | 121.5 (5) |
N2—Pt1—Cl2 | 97.51 (11) | O1—C6—C5 | 115.7 (4) |
O3—Pt1—Cl2 | 178.67 (10) | N2—C7—C8 | 120.7 (5) |
N1—Pt1—Cl2 | 88.19 (11) | N2—C7—H7 | 119.6 |
O1—Pt1—Cl1 | 93.37 (10) | C8—C7—H7 | 119.6 |
N2—Pt1—Cl1 | 86.89 (11) | C9—C8—C7 | 119.4 (5) |
O3—Pt1—Cl1 | 89.70 (10) | C9—C8—H8 | 120.3 |
N1—Pt1—Cl1 | 175.68 (10) | C7—C8—H8 | 120.3 |
Cl2—Pt1—Cl1 | 91.57 (5) | C8—C9—C10 | 119.4 (5) |
C6—O1—Pt1 | 114.4 (3) | C8—C9—H9 | 120.3 |
C12—O3—Pt1 | 113.7 (3) | C10—C9—H9 | 120.3 |
C1—N1—C5 | 120.3 (4) | C9—C10—C11 | 119.3 (5) |
C1—N1—Pt1 | 127.5 (3) | C9—C10—H10 | 120.3 |
C5—N1—Pt1 | 112.1 (3) | C11—C10—H10 | 120.3 |
C7—N2—C11 | 120.9 (4) | N2—C11—C10 | 120.2 (4) |
C7—N2—Pt1 | 126.8 (3) | N2—C11—C12 | 116.2 (4) |
C11—N2—Pt1 | 112.1 (3) | C10—C11—C12 | 123.6 (4) |
N1—C1—C2 | 121.5 (4) | O4—C12—O3 | 122.2 (5) |
N1—C1—H1 | 119.2 | O4—C12—C11 | 122.5 (5) |
C2—C1—H1 | 119.2 | O3—C12—C11 | 115.3 (4) |
C3—C2—C1 | 119.2 (5) | C14—C13—H13A | 109.5 |
C3—C2—H2 | 120.4 | C14—C13—H13B | 109.5 |
C1—C2—H2 | 120.4 | H13A—C13—H13B | 109.5 |
C2—C3—C4 | 118.9 (5) | C14—C13—H13C | 109.5 |
C2—C3—H3 | 120.6 | H13A—C13—H13C | 109.5 |
C4—C3—H3 | 120.6 | H13B—C13—H13C | 109.5 |
C5—C4—C3 | 120.5 (5) | N3—C14—C13 | 178.8 (8) |
O3—Pt1—O1—C6 | 89.9 (4) | C1—N1—C5—C4 | −0.8 (8) |
N1—Pt1—O1—C6 | −0.5 (4) | Pt1—N1—C5—C4 | −176.9 (5) |
Cl2—Pt1—O1—C6 | −88.8 (4) | C1—N1—C5—C6 | 177.9 (5) |
Cl1—Pt1—O1—C6 | 179.7 (4) | Pt1—N1—C5—C6 | 1.8 (6) |
O1—Pt1—O3—C12 | 173.1 (3) | C3—C4—C5—N1 | 1.3 (10) |
N2—Pt1—O3—C12 | −7.2 (3) | C3—C4—C5—C6 | −177.3 (6) |
N1—Pt1—O3—C12 | −104.6 (3) | Pt1—O1—C6—O2 | −179.1 (6) |
Cl1—Pt1—O3—C12 | 79.7 (3) | Pt1—O1—C6—C5 | 1.6 (7) |
O1—Pt1—N1—C1 | −176.5 (4) | N1—C5—C6—O2 | 178.3 (6) |
N2—Pt1—N1—C1 | 10.1 (4) | C4—C5—C6—O2 | −3.0 (11) |
O3—Pt1—N1—C1 | 92.3 (4) | N1—C5—C6—O1 | −2.4 (8) |
Cl2—Pt1—N1—C1 | −87.2 (4) | C4—C5—C6—O1 | 176.3 (6) |
O1—Pt1—N1—C5 | −0.8 (3) | C11—N2—C7—C8 | −1.0 (7) |
N2—Pt1—N1—C5 | −174.1 (3) | Pt1—N2—C7—C8 | −174.9 (3) |
O3—Pt1—N1—C5 | −92.0 (4) | N2—C7—C8—C9 | 0.7 (7) |
Cl2—Pt1—N1—C5 | 88.5 (3) | C7—C8—C9—C10 | −0.3 (8) |
O3—Pt1—N2—C7 | −179.5 (4) | C8—C9—C10—C11 | 0.3 (8) |
N1—Pt1—N2—C7 | −89.9 (4) | C7—N2—C11—C10 | 1.0 (7) |
Cl2—Pt1—N2—C7 | −0.8 (4) | Pt1—N2—C11—C10 | 175.7 (4) |
Cl1—Pt1—N2—C7 | 90.4 (4) | C7—N2—C11—C12 | −179.2 (4) |
O3—Pt1—N2—C11 | 6.2 (3) | Pt1—N2—C11—C12 | −4.5 (5) |
N1—Pt1—N2—C11 | 95.7 (3) | C9—C10—C11—N2 | −0.7 (7) |
Cl2—Pt1—N2—C11 | −175.1 (3) | C9—C10—C11—C12 | 179.6 (5) |
Cl1—Pt1—N2—C11 | −84.0 (3) | Pt1—O3—C12—O4 | −173.6 (4) |
C5—N1—C1—C2 | −0.3 (8) | Pt1—O3—C12—C11 | 6.7 (5) |
Pt1—N1—C1—C2 | 175.1 (4) | N2—C11—C12—O4 | 178.8 (4) |
N1—C1—C2—C3 | 0.9 (8) | C10—C11—C12—O4 | −1.4 (7) |
C1—C2—C3—C4 | −0.3 (9) | N2—C11—C12—O3 | −1.5 (6) |
C2—C3—C4—C5 | −0.8 (10) | C10—C11—C12—O3 | 178.3 (4) |
D—H···A | D—H | H···A | D···A | D—H···A |
C2—H2···O2i | 0.93 | 2.45 | 3.207 (7) | 139 |
C7—H7···Cl1ii | 0.93 | 2.75 | 3.583 (5) | 150 |
C7—H7···Cl2 | 0.93 | 2.76 | 3.334 (5) | 121 |
C10—H10···O4iii | 0.93 | 2.42 | 3.223 (6) | 145 |
C13—H13A···O2iv | 0.96 | 2.43 | 3.256 (8) | 144 |
C13—H13B···Cl1v | 0.96 | 2.84 | 3.625 (7) | 140 |
Symmetry codes: (i) x+1, −y+1/2, z+1/2; (ii) x+1, y, z; (iii) −x+1, −y, −z+1; (iv) x, −y+1/2, z+1/2; (v) x, y, z+1. |
Experimental details
Crystal data | |
Chemical formula | [PtCl2(C6H4NO2)2]·C2H3N |
Mr | 551.25 |
Crystal system, space group | Monoclinic, P21/c |
Temperature (K) | 293 |
a, b, c (Å) | 6.103 (3), 27.988 (12), 9.823 (4) |
β (°) | 91.076 (7) |
V (Å3) | 1677.7 (12) |
Z | 4 |
Radiation type | Mo Kα |
µ (mm−1) | 8.71 |
Crystal size (mm) | 0.20 × 0.15 × 0.15 |
Data collection | |
Diffractometer | Bruker SMART 1000 CCD diffractometer |
Absorption correction | Multi-scan (SADABS; Bruker, 2000) |
Tmin, Tmax | 0.203, 0.271 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 9732, 3437, 3051 |
Rint | 0.025 |
(sin θ/λ)max (Å−1) | 0.626 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.023, 0.052, 1.11 |
No. of reflections | 3437 |
No. of parameters | 218 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 1.04, −0.58 |
Computer programs: SMART (Bruker, 2000), SAINT (Bruker, 2000), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), ORTEP-3 (Farrugia, 1997) and PLATON (Spek, 2009).
Pt1—O1 | 1.999 (3) | Pt1—N1 | 2.025 (4) |
Pt1—N2 | 2.013 (3) | Pt1—Cl2 | 2.2910 (14) |
Pt1—O3 | 2.022 (3) | Pt1—Cl1 | 2.3003 (13) |
D—H···A | D—H | H···A | D···A | D—H···A |
C2—H2···O2i | 0.93 | 2.45 | 3.207 (7) | 138.7 |
C7—H7···Cl1ii | 0.93 | 2.75 | 3.583 (5) | 149.9 |
C7—H7···Cl2 | 0.93 | 2.76 | 3.334 (5) | 120.7 |
C10—H10···O4iii | 0.93 | 2.42 | 3.223 (6) | 144.9 |
C13—H13A···O2iv | 0.96 | 2.43 | 3.256 (8) | 144.0 |
C13—H13B···Cl1v | 0.96 | 2.84 | 3.625 (7) | 140.2 |
Symmetry codes: (i) x+1, −y+1/2, z+1/2; (ii) x+1, y, z; (iii) −x+1, −y, −z+1; (iv) x, −y+1/2, z+1/2; (v) x, y, z+1. |
Acknowledgements
This work was supported by a Korea Research Foundation grant funded by the Korean Government (MOEHRD) (KRF-2007–412-J02001).
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The asymmetric unit of the title compound, [PtCl2(C6H4NO2)2].CH3CN, contains a neutral PtIV complex and a CH3CN solvent molecule (Fig. 1). In the complex, the Pt4+ ion is six-coordinated in a distorted octahedral environment by two N atoms and two O atoms from two pyridinecarboxylate (pic) anion ligands and two Cl atoms. The Cl atoms are disposed in the cis position. The main contributions to the distortion are the tight O—Pt—N chelate angles (82.32 (14)° and 82.16 (13)°), which result in non-linear trans axes (<Cl1—Pt1—N1 = 175.68 (10)°, <Cl2—Pt1—O3 = 178.67 (10)° and <O1—Pt1—N2 = 173.39 (14)°). The different trans effects of the Cl, O and N atoms are not distinct, because the Pt1—Cl, Pt1—O and Pt1—N bond lengths are almost equal (Pt1—Cl: 2.3003 (13) and 2.2910 (14) Å; Pt1—O 1.999 (3) and 2.022 (3) Å; Pt1—N 2.025 (4) and 2.013 (3) Å), respectively (Table 1). The compound displays inter- and intramolecular C—H···O and C—H···Cl hydrogen bonding (Table 2 and Fig. 2). There may also be weak intermolecular π-π interactions between adjacent pyridine rings, with a shortest centroid-centroid distance of 5.223 (4) Å.