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The crystal structure of the neutral RuII complex [RuCl26–C10H14)(C2H6OS)] is reported. The overall coordination geometry about the ruthenium centre is best described as a typical `piano stool'. In the p-cymene ligand, the six C atoms of the arene ring are in a planar configuration, as expected.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536801021237/cf6137sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536801021237/cf6137Isup2.hkl
Contains datablock I

CCDC reference: 180521

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.006 Å
  • R factor = 0.033
  • wR factor = 0.090
  • Data-to-parameter ratio = 17.1

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry








Comment top

The homochiral sulfoxides have received considerable attention recently owing to their prominent role as intermediates in enantioselective synthesis and their potential use as precursors (Schenk et al., 1997; Otto et al., 2001). Because of our continuing interest in the area of arene ruthenium chemistry (Singh et al., 2000), we reacted [{(η6-C10H14)RuCl2}2] with 4-cyanophenyl imidazole, which contained dimethylsulfoxide as solvate. Surprisingly, we isolated the title complex, [(η6-C10H14)RuCl2(DMSO)], (I), instead of the expected arene–ruthenium–organonitrile complex. The pertinent bond lengths and bond angles may be compared with the closely related 1,4,9,10-tetrahydroanthracene ruthenium complex [(η6-C14H14)RuCl2(DMSO)] (Beasley et al., 1993). The title compound adopts a typical piano-stool geometry (a description commonly used for half-sandwich compounds) with a pseudo-tetrahedral arrangement of the p-cymene, the two chloride ligands, and the S atom of the coordinated DMSO ligand around the ruthenium metal centre. This is a similar arrangement to that of [(η6-C10H14)RuCl2(MePPh2)], [(η6-C10H14)RuCl2(pz)2]PF6 and the η6-arene DMSO complex [(η6-C14H14)RuCl2(DMSO)] (Bennet et al., 1972; Tocher et al., 1983; Beasley et al., 1993). The six-membered ring of the p-cymene is planar, with a maximum deviation of 0.013 (3) Å (C4) and an overall r.m.s. deviation of 0.008 Å. The C—C bond lengths within the p-cymene ring are similar apart from a shortening of the C2—C3 bond. The Ru—C distances are almost equal, with an average of 2.199 (11) Å. The distance between the centroid of the p-cymene ring and ruthenium is 1.683 (3) Å, which is very close to that reported in other RuII arene complexes (Watkins & Fronczek, 1982; McCormick et al., 1993; Gupta et al., 1998). The Ru—Cl1 and Ru—Cl2 bond lengths are similar to those in other RuII complexes (Bruce et al., 1981). The DMSO ligand is bonded to ruthenium via the S atom, resulting in a roughly tetrahedral arrangement around sulfur. The Ru—S distance is comparable to those observed in the η6-arene dimethyl sulfoxide complex [(η6-C14H14)RuCl2(DMSO)] (Beasley et al., 1993) and the RuII complex [RuCl2(DMSO)4] (Mercer & Trotter, 1973).

Experimental top

The complex [(η6-C10H14)RuCl2(DMSO)] was prepared in a 68% yield by reaction of [{(η6-C10H14)RuCl2}2] (0.612 g, 1 mmol) in dichloromethane (25 ml) with 4-cyanophenyl imidazole (0.338 g, 2 mmol) which was previously isolated from dimethylsulfoxide and therefore contained DMSO as solvate. Orange-red crystals suitable for single-crystal analysis were obtained by slow diffusion of petroleum ether (b.p. 333–353 K) into a solution of the complex in dichloromethane.

Refinement top

The highest residual peak lies 0.919 Å from Ru1. All H atoms were placed in calculated positions and refined with a riding model.

Computing details top

Data collection: CAD-4 Software (Enraf-Nonius, 1989); cell refinement: CAD-4 Software; data reduction: maXus (Mackay et al., 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXL97.

Figures top
[Figure 1] Fig. 1. The structure of [(η6-C10H14)RuCl2(DMSO)] showing 50% probability displacement ellipsoids.
'di(chloro)(hexahapto-para-cymene)(dimethylsulphoxide)ruthenium (II)' top
Crystal data top
[RuCl2(C10H14)(C2H6OS)]Z = 2
Mr = 384.31F(000) = 388
Triclinic, P1Dx = 1.692 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 7.8522 (16) ÅCell parameters from 25 reflections
b = 9.4124 (9) Åθ = 5.2–12.1°
c = 10.9151 (17) ŵ = 1.51 mm1
α = 106.850 (11)°T = 293 K
β = 94.395 (15)°Needle, brown
γ = 99.697 (13)°0.4 × 0.1 × 0.1 mm
V = 754.3 (2) Å3
Data collection top
Enraf-Nonius CAD-4
diffractometer
2373 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.000
Graphite monochromatorθmax = 25.0°, θmin = 2.0°
ω/2θ scansh = 99
Absorption correction: ψ scan
(North et al., 1968)
k = 011
Tmin = 0.836, Tmax = 0.860l = 1212
2632 measured reflections3 standard reflections every 100 reflections
2632 independent reflections intensity decay: none
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.033Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.090H-atom parameters constrained
S = 1.07 w = 1/[σ2(Fo2) + (0.067P)2]
where P = (Fo2 + 2Fc2)/3
2632 reflections(Δ/σ)max = 0.001
154 parametersΔρmax = 1.26 e Å3
0 restraintsΔρmin = 0.83 e Å3
Crystal data top
[RuCl2(C10H14)(C2H6OS)]γ = 99.697 (13)°
Mr = 384.31V = 754.3 (2) Å3
Triclinic, P1Z = 2
a = 7.8522 (16) ÅMo Kα radiation
b = 9.4124 (9) ŵ = 1.51 mm1
c = 10.9151 (17) ÅT = 293 K
α = 106.850 (11)°0.4 × 0.1 × 0.1 mm
β = 94.395 (15)°
Data collection top
Enraf-Nonius CAD-4
diffractometer
2373 reflections with I > 2σ(I)
Absorption correction: ψ scan
(North et al., 1968)
Rint = 0.000
Tmin = 0.836, Tmax = 0.8603 standard reflections every 100 reflections
2632 measured reflections intensity decay: none
2632 independent reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0330 restraints
wR(F2) = 0.090H-atom parameters constrained
S = 1.07Δρmax = 1.26 e Å3
2632 reflectionsΔρmin = 0.83 e Å3
154 parameters
Special details top

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. '

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Ru10.29833 (3)0.31308 (3)0.26131 (2)0.02468 (13)
Cl10.58313 (11)0.25448 (12)0.29023 (9)0.0407 (2)
Cl20.43520 (14)0.53239 (11)0.20865 (10)0.0467 (3)
S10.28705 (12)0.17812 (10)0.04298 (8)0.0327 (2)
C10.2167 (4)0.1968 (4)0.4017 (3)0.0298 (7)
C20.2655 (5)0.3569 (4)0.4671 (3)0.0341 (8)
H20.34770.39230.54070.041*
C30.1921 (5)0.4590 (4)0.4222 (4)0.0368 (9)
H30.22540.56200.46640.044*
C40.0655 (5)0.4093 (4)0.3088 (4)0.0342 (8)
C50.0137 (4)0.2525 (4)0.2463 (3)0.0325 (8)
H50.07090.21730.17420.039*
C60.0890 (4)0.1479 (4)0.2919 (3)0.0291 (7)
H60.05370.04480.24870.035*
C70.3045 (5)0.0871 (5)0.4507 (4)0.0390 (9)
H70.43030.12700.46400.047*
C80.2726 (7)0.0713 (5)0.3530 (5)0.0570 (12)
H8A0.32750.13630.38950.086*
H8B0.32080.06580.27600.086*
H8C0.14950.11140.33240.086*
C90.2518 (6)0.0862 (6)0.5823 (4)0.0556 (12)
H9A0.30770.01720.61260.083*
H9B0.12760.05450.57440.083*
H9C0.28700.18620.64260.083*
C100.0103 (6)0.5216 (5)0.2576 (5)0.0537 (11)
H10A0.03540.62240.31420.081*
H10B0.13490.49990.25330.081*
H10C0.02070.51380.17290.081*
O10.2148 (4)0.0139 (3)0.0064 (3)0.0498 (7)
C110.4867 (6)0.2036 (5)0.0214 (4)0.0475 (10)
H11A0.53460.30980.00030.071*
H11B0.46610.15900.11360.071*
H11C0.56730.15560.01470.071*
C120.1588 (6)0.2555 (6)0.0535 (4)0.0564 (12)
H12A0.20380.36220.03290.085*
H12B0.04020.23930.03630.085*
H12C0.16340.20660.14320.085*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ru10.02448 (18)0.02340 (18)0.01861 (18)0.00334 (11)0.00319 (11)0.00100 (12)
Cl10.0266 (4)0.0573 (6)0.0353 (5)0.0044 (4)0.0000 (4)0.0131 (5)
Cl20.0561 (6)0.0332 (5)0.0460 (6)0.0071 (4)0.0063 (5)0.0140 (4)
S10.0337 (5)0.0355 (5)0.0206 (4)0.0021 (4)0.0016 (4)0.0001 (4)
C10.0292 (18)0.0345 (19)0.0241 (17)0.0005 (14)0.0040 (14)0.0099 (15)
C20.0320 (19)0.040 (2)0.0221 (17)0.0026 (16)0.0016 (14)0.0021 (15)
C30.040 (2)0.0271 (18)0.033 (2)0.0013 (15)0.0098 (16)0.0042 (16)
C40.0313 (19)0.0343 (19)0.037 (2)0.0098 (15)0.0084 (16)0.0078 (16)
C50.0225 (17)0.039 (2)0.0307 (18)0.0027 (15)0.0007 (14)0.0087 (16)
C60.0232 (16)0.0282 (17)0.0284 (18)0.0071 (13)0.0016 (14)0.0043 (15)
C70.0291 (19)0.051 (2)0.040 (2)0.0027 (17)0.0011 (16)0.0233 (19)
C80.061 (3)0.045 (3)0.065 (3)0.013 (2)0.004 (2)0.019 (2)
C90.049 (3)0.080 (3)0.050 (3)0.004 (2)0.005 (2)0.043 (3)
C100.054 (3)0.044 (2)0.070 (3)0.020 (2)0.013 (2)0.021 (2)
O10.0529 (18)0.0351 (15)0.0428 (17)0.0036 (13)0.0033 (14)0.0088 (13)
C110.047 (2)0.062 (3)0.033 (2)0.008 (2)0.0143 (18)0.014 (2)
C120.062 (3)0.078 (3)0.027 (2)0.020 (3)0.008 (2)0.013 (2)
Geometric parameters (Å, º) top
Ru1—Cl12.4111 (10)C5—C61.416 (5)
Ru1—Cl22.4045 (10)C5—H50.930
Ru1—S12.3400 (10)C6—H60.930
Ru1—C12.201 (3)C7—C91.527 (5)
Ru1—C22.207 (4)C7—C81.527 (6)
Ru1—C32.209 (3)C7—H70.980
Ru1—C42.205 (4)C8—H8A0.960
Ru1—C52.192 (3)C8—H8B0.960
Ru1—C62.181 (3)C8—H8C0.960
S1—O11.477 (3)C9—H9A0.960
S1—C111.774 (4)C9—H9B0.960
S1—C121.784 (4)C9—H9C0.960
C1—C61.412 (5)C10—H10A0.960
C1—C21.438 (5)C10—H10B0.960
C1—C71.527 (5)C10—H10C0.960
C2—C31.383 (6)C11—H11A0.960
C2—H20.930C11—H11B0.960
C3—C41.435 (6)C11—H11C0.960
C3—H30.930C12—H12A0.960
C4—C51.407 (5)C12—H12B0.960
C4—C101.512 (6)C12—H12C0.960
Cl1—Ru1—Cl288.05 (4)C2—C3—H3119.3
S1—Ru1—Cl186.28 (4)C4—C3—H3119.3
S1—Ru1—Cl286.74 (4)Ru1—C3—H3130.9
O1—S1—Ru1115.71 (13)C5—C4—C3118.0 (3)
C11—S1—Ru1115.07 (15)C5—C4—C10120.9 (4)
C12—S1—Ru1109.49 (16)C3—C4—C10121.2 (4)
O1—S1—C11108.2 (2)C5—C4—Ru170.8 (2)
O1—S1—C12107.5 (2)C3—C4—Ru171.2 (2)
C11—S1—C1299.5 (2)C10—C4—Ru1129.2 (3)
C6—Ru1—C537.77 (13)C4—C5—C6120.7 (3)
C6—Ru1—C137.60 (13)C4—C5—Ru171.8 (2)
C5—Ru1—C168.26 (13)C6—C5—Ru170.67 (19)
C6—Ru1—C468.02 (14)C4—C5—H5119.6
C5—Ru1—C437.31 (14)C6—C5—H5119.6
C1—Ru1—C481.25 (14)Ru1—C5—H5130.5
C6—Ru1—C267.51 (13)C1—C6—C5121.3 (3)
C5—Ru1—C279.59 (14)C1—C6—Ru171.98 (19)
C1—Ru1—C238.07 (13)C5—C6—Ru171.56 (19)
C4—Ru1—C267.69 (14)C1—C6—H6119.3
C6—Ru1—C379.41 (14)C5—C6—H6119.3
C5—Ru1—C367.19 (14)Ru1—C6—H6129.7
C1—Ru1—C367.64 (14)C1—C7—C9109.9 (3)
C4—Ru1—C337.94 (15)C1—C7—C8112.9 (3)
C2—Ru1—C336.52 (15)C9—C7—C8112.9 (4)
C6—Ru1—S193.36 (10)C1—C7—H7106.9
C5—Ru1—S190.42 (10)C9—C7—H7106.9
C1—Ru1—S1121.06 (10)C8—C7—H7106.9
C4—Ru1—S1114.19 (11)C7—C8—H8A109.5
C2—Ru1—S1159.07 (10)C7—C8—H8B109.5
C3—Ru1—S1151.89 (11)H8A—C8—H8B109.5
C6—Ru1—Cl2158.37 (10)C7—C8—H8C109.5
C5—Ru1—Cl2120.62 (10)H8A—C8—H8C109.5
C1—Ru1—Cl2151.75 (10)H8B—C8—H8C109.5
C4—Ru1—Cl292.21 (10)C7—C9—H9A109.5
C2—Ru1—Cl2114.18 (10)C7—C9—H9B109.5
C3—Ru1—Cl290.35 (10)H9A—C9—H9B109.5
C6—Ru1—Cl1113.55 (10)C7—C9—H9C109.5
C5—Ru1—Cl1150.93 (10)H9A—C9—H9C109.5
C1—Ru1—Cl188.87 (10)H9B—C9—H9C109.5
C4—Ru1—Cl1159.51 (11)C4—C10—H10A109.5
C2—Ru1—Cl193.56 (10)C4—C10—H10B109.5
C3—Ru1—Cl1121.59 (11)H10A—C10—H10B109.5
C6—C1—C2117.6 (3)C4—C10—H10C109.5
C6—C1—C7122.5 (3)H10A—C10—H10C109.5
C2—C1—C7119.8 (3)H10B—C10—H10C109.5
C6—C1—Ru170.42 (19)S1—C11—H11A109.5
C2—C1—Ru171.2 (2)S1—C11—H11B109.5
C7—C1—Ru1128.6 (2)H11A—C11—H11B109.5
C3—C2—C1120.9 (3)S1—C11—H11C109.5
C3—C2—Ru171.8 (2)H11A—C11—H11C109.5
C1—C2—Ru170.7 (2)H11B—C11—H11C109.5
C3—C2—H2119.5S1—C12—H12A109.5
C1—C2—H2119.5S1—C12—H12B109.5
Ru1—C2—H2130.6H12A—C12—H12B109.5
C2—C3—C4121.4 (3)S1—C12—H12C109.5
C2—C3—Ru171.7 (2)H12A—C12—H12C109.5
C4—C3—Ru170.9 (2)H12B—C12—H12C109.5
C6—Ru1—S1—O124.25 (17)C2—Ru1—C3—C4134.0 (3)
C5—Ru1—S1—O161.93 (18)S1—Ru1—C3—C49.4 (4)
C1—Ru1—S1—O12.73 (18)Cl2—Ru1—C3—C493.1 (2)
C4—Ru1—S1—O191.63 (18)Cl1—Ru1—C3—C4178.94 (18)
C2—Ru1—S1—O11.1 (3)C2—C3—C4—C51.9 (5)
C3—Ru1—S1—O197.9 (3)Ru1—C3—C4—C555.0 (3)
Cl2—Ru1—S1—O1177.41 (15)C2—C3—C4—C10178.1 (4)
Cl1—Ru1—S1—O189.16 (15)Ru1—C3—C4—C10125.0 (4)
C6—Ru1—S1—C11151.7 (2)C2—C3—C4—Ru153.1 (3)
C5—Ru1—S1—C11170.7 (2)C6—Ru1—C4—C528.8 (2)
C1—Ru1—S1—C11124.7 (2)C1—Ru1—C4—C565.4 (2)
C4—Ru1—S1—C11141.0 (2)C2—Ru1—C4—C5102.5 (2)
C2—Ru1—S1—C11128.5 (3)C3—Ru1—C4—C5130.0 (3)
C3—Ru1—S1—C11134.7 (3)S1—Ru1—C4—C554.8 (2)
Cl2—Ru1—S1—C1150.01 (18)Cl2—Ru1—C4—C5142.2 (2)
Cl1—Ru1—S1—C1138.24 (18)Cl1—Ru1—C4—C5127.4 (3)
C6—Ru1—S1—C1297.3 (2)C6—Ru1—C4—C3101.3 (2)
C5—Ru1—S1—C1259.6 (2)C5—Ru1—C4—C3130.0 (3)
C1—Ru1—S1—C12124.3 (2)C1—Ru1—C4—C364.6 (2)
C4—Ru1—S1—C1230.0 (2)C2—Ru1—C4—C327.5 (2)
C2—Ru1—S1—C12120.5 (3)S1—Ru1—C4—C3175.16 (19)
C3—Ru1—S1—C1223.6 (3)Cl2—Ru1—C4—C387.7 (2)
Cl2—Ru1—S1—C1261.01 (19)Cl1—Ru1—C4—C32.6 (4)
Cl1—Ru1—S1—C12149.26 (19)C6—Ru1—C4—C10143.4 (4)
C5—Ru1—C1—C628.7 (2)C5—Ru1—C4—C10114.7 (5)
C4—Ru1—C1—C665.1 (2)C1—Ru1—C4—C10179.9 (4)
C2—Ru1—C1—C6129.9 (3)C2—Ru1—C4—C10142.8 (4)
C3—Ru1—C1—C6102.0 (2)C3—Ru1—C4—C10115.3 (5)
S1—Ru1—C1—C647.9 (2)S1—Ru1—C4—C1059.9 (4)
Cl2—Ru1—C1—C6143.3 (2)Cl2—Ru1—C4—C1027.5 (4)
Cl1—Ru1—C1—C6132.9 (2)Cl1—Ru1—C4—C10117.9 (4)
C6—Ru1—C1—C2129.9 (3)C3—C4—C5—C62.0 (5)
C5—Ru1—C1—C2101.2 (2)C10—C4—C5—C6177.9 (4)
C4—Ru1—C1—C264.8 (2)Ru1—C4—C5—C653.1 (3)
C3—Ru1—C1—C227.8 (2)C3—C4—C5—Ru155.1 (3)
S1—Ru1—C1—C2177.80 (17)C10—C4—C5—Ru1124.8 (4)
Cl2—Ru1—C1—C213.5 (3)C6—Ru1—C5—C4133.3 (3)
Cl1—Ru1—C1—C297.2 (2)C1—Ru1—C5—C4104.7 (2)
C6—Ru1—C1—C7116.5 (4)C2—Ru1—C5—C466.7 (2)
C5—Ru1—C1—C7145.2 (4)C3—Ru1—C5—C430.7 (2)
C4—Ru1—C1—C7178.4 (3)S1—Ru1—C5—C4131.8 (2)
C2—Ru1—C1—C7113.6 (4)Cl2—Ru1—C5—C445.3 (2)
C3—Ru1—C1—C7141.4 (4)Cl1—Ru1—C5—C4145.1 (2)
S1—Ru1—C1—C768.6 (3)C1—Ru1—C5—C628.6 (2)
Cl2—Ru1—C1—C7100.1 (3)C4—Ru1—C5—C6133.3 (3)
Cl1—Ru1—C1—C716.4 (3)C2—Ru1—C5—C666.6 (2)
C6—C1—C2—C31.2 (5)C3—Ru1—C5—C6102.5 (2)
C7—C1—C2—C3177.8 (3)S1—Ru1—C5—C694.9 (2)
Ru1—C1—C2—C353.5 (3)Cl2—Ru1—C5—C6178.59 (16)
C6—C1—C2—Ru154.7 (3)Cl1—Ru1—C5—C611.9 (3)
C7—C1—C2—Ru1124.4 (3)C2—C1—C6—C51.1 (5)
C6—Ru1—C2—C3103.0 (2)C7—C1—C6—C5178.0 (3)
C5—Ru1—C2—C365.5 (2)Ru1—C1—C6—C554.0 (3)
C1—Ru1—C2—C3133.4 (3)C2—C1—C6—Ru155.1 (3)
C4—Ru1—C2—C328.5 (2)C7—C1—C6—Ru1123.9 (3)
S1—Ru1—C2—C3128.2 (3)C4—C5—C6—C10.6 (5)
Cl2—Ru1—C2—C353.5 (2)Ru1—C5—C6—C154.2 (3)
Cl1—Ru1—C2—C3142.9 (2)C4—C5—C6—Ru153.6 (3)
C6—Ru1—C2—C130.4 (2)C5—Ru1—C6—C1133.2 (3)
C5—Ru1—C2—C167.9 (2)C4—Ru1—C6—C1104.8 (2)
C4—Ru1—C2—C1104.9 (2)C2—Ru1—C6—C130.8 (2)
C3—Ru1—C2—C1133.4 (3)C3—Ru1—C6—C167.0 (2)
S1—Ru1—C2—C15.3 (4)S1—Ru1—C6—C1140.4 (2)
Cl2—Ru1—C2—C1173.06 (17)Cl2—Ru1—C6—C1129.9 (2)
Cl1—Ru1—C2—C183.6 (2)Cl1—Ru1—C6—C153.0 (2)
C1—C2—C3—C40.3 (6)C1—Ru1—C6—C5133.2 (3)
Ru1—C2—C3—C452.7 (3)C4—Ru1—C6—C528.4 (2)
C1—C2—C3—Ru153.0 (3)C2—Ru1—C6—C5102.4 (2)
C6—Ru1—C3—C266.3 (2)C3—Ru1—C6—C566.3 (2)
C5—Ru1—C3—C2103.8 (2)S1—Ru1—C6—C586.3 (2)
C1—Ru1—C3—C229.0 (2)Cl2—Ru1—C6—C53.3 (4)
C4—Ru1—C3—C2134.0 (3)Cl1—Ru1—C6—C5173.74 (18)
S1—Ru1—C3—C2143.4 (2)C6—C1—C7—C9113.5 (4)
Cl2—Ru1—C3—C2132.8 (2)C2—C1—C7—C967.5 (4)
Cl1—Ru1—C3—C244.9 (2)Ru1—C1—C7—C9156.5 (3)
C6—Ru1—C3—C467.7 (2)C6—C1—C7—C813.5 (5)
C5—Ru1—C3—C430.2 (2)C2—C1—C7—C8165.6 (4)
C1—Ru1—C3—C4105.1 (2)Ru1—C1—C7—C876.6 (4)

Experimental details

Crystal data
Chemical formula[RuCl2(C10H14)(C2H6OS)]
Mr384.31
Crystal system, space groupTriclinic, P1
Temperature (K)293
a, b, c (Å)7.8522 (16), 9.4124 (9), 10.9151 (17)
α, β, γ (°)106.850 (11), 94.395 (15), 99.697 (13)
V3)754.3 (2)
Z2
Radiation typeMo Kα
µ (mm1)1.51
Crystal size (mm)0.4 × 0.1 × 0.1
Data collection
DiffractometerEnraf-Nonius CAD-4
diffractometer
Absorption correctionψ scan
(North et al., 1968)
Tmin, Tmax0.836, 0.860
No. of measured, independent and
observed [I > 2σ(I)] reflections
2632, 2632, 2373
Rint0.000
(sin θ/λ)max1)0.594
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.033, 0.090, 1.07
No. of reflections2632
No. of parameters154
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)1.26, 0.83

Computer programs: CAD-4 Software (Enraf-Nonius, 1989), CAD-4 Software, maXus (Mackay et al., 1998), SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), ORTEP-3 (Farrugia, 1997), SHELXL97.

Selected geometric parameters (Å, º) top
Ru1—Cl12.4111 (10)Ru1—C42.205 (4)
Ru1—Cl22.4045 (10)Ru1—C52.192 (3)
Ru1—S12.3400 (10)Ru1—C62.181 (3)
Ru1—C12.201 (3)S1—O11.477 (3)
Ru1—C22.207 (4)S1—C111.774 (4)
Ru1—C32.209 (3)S1—C121.784 (4)
Cl1—Ru1—Cl288.05 (4)C12—S1—Ru1109.49 (16)
S1—Ru1—Cl186.28 (4)O1—S1—C11108.2 (2)
S1—Ru1—Cl286.74 (4)O1—S1—C12107.5 (2)
O1—S1—Ru1115.71 (13)C11—S1—C1299.5 (2)
C11—S1—Ru1115.07 (15)
 

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