Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270100012191/qa0327sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108270100012191/qa0327Isup2.hkl |
CCDC reference: 152655
A suspension of K3RuCl6 (150 mg, 0.35 mmol) in MeOH (10 ml) was added to excess thiazole (350 mg, 4.1 mmol) and refluxed for 2 h. The mixture was cooled to 298 K and filtered. The filtrate (green) was concentrated by evaporating the solvent (298 K) and then stored at 278 K. Red crystals formed within 3–5 weeks. They were filtered off and stored in the air.
The three thz ligands are affected by statistical disorder around the Ru—N vectors with two distinct orientations each (pseudo-twofold type). The occupancies of the sets of atoms for the two orientations were refined to 0.609 (4)/0.391 (4), 0.581 (4)/0.419 (4) and 0.522 (4)/0.478 (4) for thz(1), thz(2), and thz(3), respectively. The C—S and C—C bond distances were restrained to be 1.70±0.02 and 1.36±0.01 Å, respectively. All the H atoms were set in calculated positions and allowed to ride on the respective C atoms during refinement. They were considered isotropic and their displacement parameters were restrained to 1.2Ueq of the atoms to which they are bound.
Data collection: XSCANS (Siemens, 1994); cell refinement: XSCANS; data reduction: XSCANS; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Johnson & Burnett, 1998); software used to prepare material for publication: CIFTAB (Sheldrick, 1997).
C9H9Cl3N3RuS3 | F(000) = 908 |
Mr = 462.79 | Dx = 1.978 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
a = 9.446 (1) Å | Cell parameters from 33 reflections |
b = 11.486 (1) Å | θ = 7.5–20.0° |
c = 14.342 (1) Å | µ = 1.92 mm−1 |
β = 93.14 (1)° | T = 293 K |
V = 1553.7 (2) Å3 | Prism, dark red |
Z = 4 | 0.3 × 0.2 × 0.2 mm |
Siemens P4 diffractometer | 3111 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.013 |
Graphite monochromator | θmax = 27.5°, θmin = 2.3° |
ω scans | h = −1→12 |
Absorption correction: ψ scan (north, Phillips & Mathews, 1968) ? | k = −1→14 |
Tmin = 0.647, Tmax = 0.682 | l = −18→18 |
4609 measured reflections | 3 standard reflections every 97 reflections |
3564 independent reflections | intensity decay: none |
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) = 0.055 | H-atom parameters constrained |
S = 1.01 | Calculated w = 1/[σ2(Fo2) + (0.0274P)2 + 0.8664P] where P = (Fo2 + 2Fc2)/3 |
3564 reflections | (Δ/σ)max = 0.001 |
235 parameters | Δρmax = 0.34 e Å−3 |
18 restraints | Δρmin = −0.46 e Å−3 |
C9H9Cl3N3RuS3 | V = 1553.7 (2) Å3 |
Mr = 462.79 | Z = 4 |
Monoclinic, P21/n | Mo Kα radiation |
a = 9.446 (1) Å | µ = 1.92 mm−1 |
b = 11.486 (1) Å | T = 293 K |
c = 14.342 (1) Å | 0.3 × 0.2 × 0.2 mm |
β = 93.14 (1)° |
Siemens P4 diffractometer | 3111 reflections with I > 2σ(I) |
Absorption correction: ψ scan (north, Phillips & Mathews, 1968) ? | Rint = 0.013 |
Tmin = 0.647, Tmax = 0.682 | 3 standard reflections every 97 reflections |
4609 measured reflections | intensity decay: none |
3564 independent reflections |
R[F2 > 2σ(F2)] = 0.023 | 18 restraints |
wR(F2) = 0.055 | H-atom parameters constrained |
S = 1.01 | Δρmax = 0.34 e Å−3 |
3564 reflections | Δρmin = −0.46 e Å−3 |
235 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 | Occ. (<1) | |
Ru | 0.021766 (19) | 0.093457 (15) | 0.253768 (11) | 0.03161 (6) | |
Cl1 | 0.07192 (7) | −0.08113 (5) | 0.33377 (4) | 0.04742 (15) | |
Cl2 | −0.10548 (7) | −0.00144 (6) | 0.13108 (4) | 0.05125 (16) | |
Cl3 | −0.01480 (7) | 0.27537 (5) | 0.18156 (5) | 0.04971 (15) | |
N1 | −0.1666 (2) | 0.11056 (18) | 0.32163 (14) | 0.0398 (4) | |
N2 | 0.13125 (19) | 0.18154 (17) | 0.36286 (12) | 0.0349 (4) | |
N3 | 0.2096 (2) | 0.07691 (17) | 0.18534 (13) | 0.0386 (4) | |
S1 | −0.3869 (4) | 0.0549 (3) | 0.4065 (3) | 0.0711 (11) | 0.607 (4) |
S1B | −0.3779 (6) | 0.1998 (4) | 0.3946 (4) | 0.0648 (10) | 0.393 (4) |
C41 | −0.3417 (12) | 0.1958 (9) | 0.3966 (11) | 0.101 (6) | 0.607 (4) |
H41 | −0.3902 | 0.2564 | 0.4236 | 0.122* | 0.607 (4) |
C41B | −0.3689 (15) | 0.0515 (9) | 0.3854 (15) | 0.047 (3) | 0.393 (4) |
H41B | −0.4381 | −0.0001 | 0.4037 | 0.057* | 0.393 (4) |
C52 | 0.2371 (3) | 0.2582 (2) | 0.35269 (16) | 0.0406 (5) | |
H52 | 0.2723 | 0.2777 | 0.2954 | 0.049* | |
C53 | 0.3326 (3) | 0.0373 (3) | 0.22302 (18) | 0.0492 (6) | |
H53 | 0.3455 | 0.0066 | 0.2829 | 0.059* | |
C21 | −0.2439 (3) | 0.0200 (2) | 0.34699 (19) | 0.0497 (6) | |
H21 | −0.2207 | −0.0565 | 0.3329 | 0.060* | |
C51 | −0.2263 (3) | 0.2117 (3) | 0.3449 (2) | 0.0575 (7) | |
H51 | −0.1928 | 0.2843 | 0.3277 | 0.069* | |
C23 | 0.2225 (3) | 0.1104 (3) | 0.09660 (19) | 0.0551 (7) | |
H23 | 0.1457 | 0.1399 | 0.0607 | 0.066* | |
C22 | 0.1016 (3) | 0.1717 (2) | 0.45278 (16) | 0.0432 (5) | |
H22 | 0.0312 | 0.1221 | 0.4723 | 0.052* | |
S2 | 0.1984 (2) | 0.2533 (3) | 0.5269 (2) | 0.0477 (5) | 0.581 (4) |
S2B | 0.3066 (6) | 0.3187 (6) | 0.4484 (3) | 0.0461 (7) | 0.419 (4) |
S3 | 0.3781 (3) | 0.0973 (5) | 0.0546 (3) | 0.0606 (7) | 0.522 (4) |
S3B | 0.4694 (5) | 0.0345 (7) | 0.1556 (3) | 0.0643 (9) | 0.478 (4) |
C43 | 0.4374 (12) | 0.0482 (19) | 0.1609 (8) | 0.064 (4) | 0.522 (4) |
H43 | 0.5320 | 0.0303 | 0.1759 | 0.077* | 0.522 (4) |
C43B | 0.3614 (11) | 0.099 (2) | 0.0742 (9) | 0.075 (6) | 0.478 (4) |
H43B | 0.3936 | 0.1260 | 0.0178 | 0.090* | 0.478 (4) |
C42 | 0.2867 (17) | 0.3038 (15) | 0.4355 (6) | 0.056 (4) | 0.581 (4) |
H42 | 0.3610 | 0.3569 | 0.4414 | 0.067* | 0.581 (4) |
C42B | 0.1961 (16) | 0.2340 (15) | 0.5086 (8) | 0.066 (6) | 0.419 (4) |
H42B | 0.1994 | 0.2304 | 0.5734 | 0.079* | 0.419 (4) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ru | 0.03553 (10) | 0.02971 (9) | 0.02953 (9) | 0.00194 (7) | 0.00138 (6) | 0.00023 (7) |
Cl1 | 0.0554 (4) | 0.0383 (3) | 0.0497 (3) | 0.0097 (3) | 0.0134 (3) | 0.0120 (3) |
Cl2 | 0.0613 (4) | 0.0498 (4) | 0.0416 (3) | −0.0069 (3) | −0.0058 (3) | −0.0091 (3) |
Cl3 | 0.0596 (4) | 0.0365 (3) | 0.0516 (3) | 0.0034 (3) | −0.0099 (3) | 0.0086 (3) |
N1 | 0.0334 (10) | 0.0403 (11) | 0.0456 (11) | −0.0009 (8) | 0.0016 (8) | −0.0072 (9) |
N2 | 0.0353 (9) | 0.0366 (10) | 0.0330 (9) | 0.0016 (8) | 0.0019 (7) | 0.0008 (8) |
N3 | 0.0441 (11) | 0.0388 (11) | 0.0334 (9) | 0.0000 (8) | 0.0063 (8) | 0.0007 (8) |
S1 | 0.0464 (9) | 0.0913 (16) | 0.078 (2) | −0.0080 (9) | 0.0227 (10) | −0.0145 (11) |
S1B | 0.045 (2) | 0.0641 (18) | 0.087 (2) | −0.0011 (12) | 0.0195 (13) | −0.0262 (14) |
C41 | 0.053 (8) | 0.088 (7) | 0.164 (11) | 0.014 (5) | 0.014 (6) | −0.073 (7) |
C41B | 0.055 (8) | 0.035 (4) | 0.054 (8) | −0.020 (4) | 0.016 (5) | −0.017 (4) |
C52 | 0.0414 (12) | 0.0394 (13) | 0.0414 (13) | −0.0014 (10) | 0.0062 (10) | 0.0002 (10) |
C53 | 0.0447 (14) | 0.0594 (17) | 0.0441 (13) | 0.0056 (12) | 0.0061 (11) | −0.0029 (12) |
C21 | 0.0474 (14) | 0.0437 (14) | 0.0588 (16) | −0.0007 (12) | 0.0108 (12) | −0.0029 (12) |
C51 | 0.0464 (15) | 0.0433 (15) | 0.083 (2) | −0.0019 (12) | 0.0095 (14) | −0.0173 (14) |
C23 | 0.0652 (18) | 0.0608 (18) | 0.0399 (13) | 0.0017 (14) | 0.0097 (12) | 0.0081 (12) |
C22 | 0.0432 (13) | 0.0512 (15) | 0.0354 (12) | −0.0014 (11) | 0.0043 (10) | 0.0014 (11) |
S2 | 0.0462 (9) | 0.0616 (12) | 0.0345 (9) | 0.0012 (7) | −0.0046 (6) | −0.0089 (10) |
S2B | 0.0423 (15) | 0.0509 (18) | 0.0448 (11) | −0.0064 (11) | −0.0012 (10) | −0.0083 (11) |
S3 | 0.0565 (10) | 0.0812 (15) | 0.0464 (14) | −0.0062 (10) | 0.0241 (10) | 0.0020 (12) |
S3B | 0.0456 (17) | 0.086 (2) | 0.0633 (14) | 0.0046 (13) | 0.0209 (10) | 0.0037 (13) |
C43 | 0.040 (6) | 0.080 (7) | 0.073 (7) | −0.003 (6) | 0.006 (4) | −0.016 (5) |
C43B | 0.096 (10) | 0.090 (8) | 0.044 (7) | −0.014 (6) | 0.047 (5) | −0.001 (5) |
C42 | 0.041 (5) | 0.045 (5) | 0.081 (8) | −0.007 (3) | −0.005 (4) | −0.015 (4) |
C42B | 0.098 (11) | 0.067 (9) | 0.031 (6) | 0.007 (6) | 0.004 (5) | −0.016 (5) |
Ru—N3 | 2.0826 (19) | C52—S2B | 1.644 (5) |
Ru—N1 | 2.0837 (19) | C52—H52 | 0.9300 |
Ru—N2 | 2.0890 (18) | C53—C43 | 1.374 (9) |
Ru—Cl2 | 2.3446 (6) | C53—S3B | 1.656 (5) |
Ru—Cl1 | 2.3458 (6) | C53—H53 | 0.9300 |
Ru—Cl3 | 2.3491 (6) | C21—H21 | 0.9300 |
N1—C21 | 1.333 (3) | C51—H51 | 0.9300 |
N1—C51 | 1.341 (3) | C23—C43B | 1.375 (9) |
N2—C22 | 1.339 (3) | C23—S3 | 1.626 (4) |
N2—C52 | 1.346 (3) | C23—H23 | 0.9300 |
N3—C53 | 1.334 (3) | C22—C42B | 1.368 (9) |
N3—C23 | 1.341 (3) | C22—S2 | 1.655 (4) |
S1—C41 | 1.681 (9) | C22—H22 | 0.9300 |
S1—C21 | 1.686 (4) | S2—C42 | 1.694 (9) |
S1B—C51 | 1.640 (5) | S2B—C42B | 1.697 (9) |
S1B—C41B | 1.711 (9) | S3—C43 | 1.692 (9) |
C41—C51 | 1.364 (8) | S3B—C43B | 1.681 (9) |
C41—H41 | 0.9300 | C43—H43 | 0.9300 |
C41B—C21 | 1.379 (9) | C43B—H43B | 0.9300 |
C41B—H41B | 0.9300 | C42—H42 | 0.9300 |
C52—C42 | 1.358 (8) | C42B—H42B | 0.9300 |
N3—Ru—N1 | 179.69 (8) | N3—C53—H53 | 124.8 |
N3—Ru—N2 | 89.86 (7) | C43—C53—H53 | 124.8 |
N1—Ru—N2 | 90.28 (7) | S3B—C53—H53 | 117.7 |
N3—Ru—Cl2 | 91.08 (6) | N1—C21—C41B | 113.5 (5) |
N1—Ru—Cl2 | 88.77 (6) | N1—C21—S1 | 114.7 (2) |
N2—Ru—Cl2 | 178.50 (5) | C41B—C21—S1 | 6.9 (12) |
N3—Ru—Cl1 | 89.89 (6) | N1—C21—H21 | 122.6 |
N1—Ru—Cl1 | 90.40 (6) | C41B—C21—H21 | 123.5 |
N2—Ru—Cl1 | 88.24 (5) | S1—C21—H21 | 122.6 |
Cl2—Ru—Cl1 | 92.93 (3) | N1—C51—C41 | 112.2 (5) |
N3—Ru—Cl3 | 88.96 (6) | N1—C51—S1B | 115.1 (3) |
N1—Ru—Cl3 | 90.77 (6) | C41—C51—S1B | 7.9 (9) |
N2—Ru—Cl3 | 87.37 (5) | N1—C51—H51 | 123.9 |
Cl2—Ru—Cl3 | 91.47 (2) | C41—C51—H51 | 123.9 |
Cl1—Ru—Cl3 | 175.47 (2) | S1B—C51—H51 | 120.5 |
C21—N1—C51 | 111.4 (2) | N3—C23—C43B | 109.5 (5) |
C21—N1—Ru | 123.25 (17) | N3—C23—S3 | 117.1 (3) |
C51—N1—Ru | 125.38 (18) | C43B—C23—S3 | 8.2 (6) |
C22—N2—C52 | 110.8 (2) | N3—C23—H23 | 121.4 |
C22—N2—Ru | 124.00 (16) | C43B—C23—H23 | 129.0 |
C52—N2—Ru | 125.16 (15) | S3—C23—H23 | 121.4 |
C53—N3—C23 | 111.1 (2) | N2—C22—C42B | 110.8 (5) |
C53—N3—Ru | 125.84 (16) | N2—C22—S2 | 115.7 (2) |
C23—N3—Ru | 123.01 (18) | C42B—C22—S2 | 7.2 (8) |
C41—S1—C21 | 88.4 (4) | N2—C22—H22 | 122.2 |
C51—S1B—C41B | 90.1 (4) | C42B—C22—H22 | 126.8 |
C51—C41—S1 | 112.9 (7) | S2—C22—H22 | 122.2 |
C51—C41—H41 | 123.5 | C22—S2—C42 | 88.6 (4) |
C21—C41B—S1B | 109.8 (7) | C52—S2B—C42B | 87.3 (4) |
C21—C41B—H41B | 125.1 | C23—S3—C43 | 87.6 (4) |
S1B—C41B—H41B | 125.1 | C53—S3B—C43B | 86.2 (4) |
N2—C52—C42 | 112.3 (5) | C53—C43—S3 | 113.6 (7) |
N2—C52—S2B | 116.8 (2) | C53—C43—H43 | 123.2 |
C42—C52—S2B | 4.5 (5) | C23—C43B—S3B | 115.4 (7) |
N2—C52—H52 | 123.8 | C23—C43B—H43B | 122.3 |
C42—C52—H52 | 123.8 | C52—C42—S2 | 112.6 (7) |
S2B—C52—H52 | 119.4 | C52—C42—H42 | 123.7 |
N3—C53—C43 | 110.4 (5) | C22—C42B—S2B | 113.7 (8) |
N3—C53—S3B | 117.4 (2) | C22—C42B—H42B | 123.1 |
C43—C53—S3B | 8.0 (8) |
Experimental details
Crystal data | |
Chemical formula | C9H9Cl3N3RuS3 |
Mr | 462.79 |
Crystal system, space group | Monoclinic, P21/n |
Temperature (K) | 293 |
a, b, c (Å) | 9.446 (1), 11.486 (1), 14.342 (1) |
β (°) | 93.14 (1) |
V (Å3) | 1553.7 (2) |
Z | 4 |
Radiation type | Mo Kα |
µ (mm−1) | 1.92 |
Crystal size (mm) | 0.3 × 0.2 × 0.2 |
Data collection | |
Diffractometer | Siemens P4 diffractometer |
Absorption correction | ψ scan (North, Phillips & Mathews, 1968) |
Tmin, Tmax | 0.647, 0.682 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 4609, 3564, 3111 |
Rint | 0.013 |
(sin θ/λ)max (Å−1) | 0.650 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.023, 0.055, 1.01 |
No. of reflections | 3564 |
No. of parameters | 235 |
No. of restraints | 18 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.34, −0.46 |
Computer programs: XSCANS (Siemens, 1994), XSCANS, SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), ORTEP-3 (Johnson & Burnett, 1998), CIFTAB (Sheldrick, 1997).
Ru—N3 | 2.0826 (19) | N1—C21 | 1.333 (3) |
Ru—N1 | 2.0837 (19) | N1—C51 | 1.341 (3) |
Ru—N2 | 2.0890 (18) | N2—C22 | 1.339 (3) |
Ru—Cl2 | 2.3446 (6) | N2—C52 | 1.346 (3) |
Ru—Cl1 | 2.3458 (6) | N3—C53 | 1.334 (3) |
Ru—Cl3 | 2.3491 (6) | N3—C23 | 1.341 (3) |
N3—Ru—N1 | 179.69 (8) | N2—Ru—Cl3 | 87.37 (5) |
N3—Ru—N2 | 89.86 (7) | Cl2—Ru—Cl3 | 91.47 (2) |
N1—Ru—N2 | 90.28 (7) | Cl1—Ru—Cl3 | 175.47 (2) |
N3—Ru—Cl2 | 91.08 (6) | C21—N1—C51 | 111.4 (2) |
N1—Ru—Cl2 | 88.77 (6) | C21—N1—Ru | 123.25 (17) |
N2—Ru—Cl2 | 178.50 (5) | C51—N1—Ru | 125.38 (18) |
N3—Ru—Cl1 | 89.89 (6) | C22—N2—C52 | 110.8 (2) |
N1—Ru—Cl1 | 90.40 (6) | C22—N2—Ru | 124.00 (16) |
N2—Ru—Cl1 | 88.24 (5) | C52—N2—Ru | 125.16 (15) |
Cl2—Ru—Cl1 | 92.93 (3) | C53—N3—C23 | 111.1 (2) |
N3—Ru—Cl3 | 88.96 (6) | C53—N3—Ru | 125.84 (16) |
N1—Ru—Cl3 | 90.77 (6) | C23—N3—Ru | 123.01 (18) |
On continuing our research efforts to prepare and structurally characterize complexes of platinum group metals of potential cytostatic and antitumoral activity (Cini et al., 1998; Pifferi & Cini, 1998; Cavaglioni & Cini, 1997; Cini, 1996), we have carried out the synthesis and the X-ray structural characterization of the title compound, (I), from the reaction of K3RuCl6 with thz (thz is 1,3-thiazole) in methanol. It is interesting to note that the thz group is frequently encountered in several biomolecules and active drugs (Hansch et al., 1990), and that other workers found that thz–metal complexes posses cytostatic activity (Van Beusichem & Farrell, 1992). Furthermore, several RuII and RuIII complexes have shown cytostatic and antitumoral activity (Clarke & Stubbs, 1996). The crystals of the title compound contain octahedral molecules in which the metal atom is linked to three chloride anions (meridional positions) and to three thz molecules through their N atoms. The S atoms do not have any significant contact distance to the metal. The Ru—Cl bond distances have the same values within three times the estimated standard uncertainty and are in the range 2.3446 (6)—2.3491 (6) Å, in agreement with previously published RuIII—Cl bond lengths (Ziegler et al., 1999). The Ru—N bond distances also are equal within three times the e.s.d. and are in the range 2.0826 (19)–2.0889 (18) Å; they are very close to the RuII–N(thz trans to thz) bond distances [average 2.094 (5) Å] previously found for trans-[RuCl2(PPh3)(thz)3] (Pifferi & Cini, 1998). The bond angles at the metal centre have almost idealized values; the largest deviations from 90 and 180° were found for Cl1—Ru—Cl2 [92.93 (3)°] and Cl1—Ru—Cl3 [175.47 (2)°]. All the three thz ligands are affected by a statistical disorder (see Experimental) and have a planar arrangement of the atoms. The type of disorder found in the present work has been reported previously for several metal–N(thz) complexes (Pifferi & Cini, 1998; Cavaglioni & Cini, 1997; Cornia et al., 1997; James et al., 1997); by contrast, a similar disorder for N1-coordinated imidazole (imz, a frequently encountered and biologically significant ligand) is rarely reported in the literature (see, for instance, Hu et al., 1997).
The molecule of the title compound is stabilized by eight intramolecular C—H···Cl interactions. Two C—H groups from trans thz(1) and thz(3) ligands interact with two Cl atoms each and have the shortest C···Cl distances (range 3.217–3.296 Å). The smallest C—N—Ru—Cl torsion angles for thz(1) and thz(3) are 27.6 (2) and 38.2 (2)° (absolute values), respectively, in agreement with the strongest interactions. The smallest C—N—Ru—Cl torsion angle for thz(2) is 51.3 (2)°. This means that the thz(2) system, which is closer to the Ru—N1/N3 vectors than to the Ru—Cl1/Cl3 ones, must experience a repulsive net effect from thz(1) and thz(3). The orientation of thz(2) can have a rationale through the intermolecular interactions to Cl2(-x + 0.5, y + 0.5, −z + 0.5) and Cl2(x + 0.5, −y + 0.5, z + 0.5), as well as through the stacking interactions to thz(3)(-x + 0.5, y + 0.5, −z + 0.5). It has to be noted that the unconventional M—Cl···H—C bonding mode may play a structural role for M—C bond-formation reactions (Huang et al., 1998; Cavaglioni & Cini, 1997), and for stabilizing electronically and coordinatively unsaturated organometallic and coordination compounds (Cini & Cavaglioni, 1999).
In conclusion, we have prepared and structurally characterized a new RuII complex that can exert some cytostatic activity via metal–nucleic acid interactions once the labile chloride ligands have been removed inside the cell. Furthermore, the analysis confirms that M—Cl···H—C-type interactions have a significant structural role in coordination compounds. Finally, the work says that twofold type disorders around the M–N(thz) vectors [and possibly around the M—N(imz) vectors] are highly probable. This indicates that very accurate structural determinations have to be performed in order to treat such a type of disorder for M–imz complexes, because the small geometrical and electronic differences between the CH and NH functions, when compared to those between the CH and S ones.