trans-Bis(3-hy-droxy-pyridine-κN)diiodidoplatinum(II) dimethyl sulfoxide disolvate.

In the title compound, [PtI(2)(C(5)H(5)NO)(2)]·2(CH(3))(2)SO, the Pt(II) ion lies on an inversion center and is coordinated in a slightly distorted square-planar environment by two trans iodide ligands and two pyridine N atoms. In the crystal, complex mol-ecules and solvent dimethyl sulfoxide mol-ecules are linked by inter-molecular O-H⋯O hydrogen bonds.

Related literature

For the results of activity, cell uptake and DNA binding studies of some trans-planar platinum complexes, see: Farrell et al. (1992 ▶); Bierbach et al. (1999 ▶); Huq et al. (2004 ▶); Daghriri et al. (2004 ▶); Chowdhury et al. (2005 ▶). For the structure of trans-dichloridoplatinum(II), see: Beusichem & Farrell (1992 ▶).

Experimental

Crystal data

[PtI2(C5H5NO)2]·2C2H6OS

M = 795.35

Triclinic,

a = 6.0870 (12) Å

b = 7.8070 (16) Å

c = 12.305 (3) Å

α = 76.52 (3)°

β = 82.95 (3)°

γ = 81.87 (3)°

V = 560.5 (2) Å3

Z = 1

Mo Kα radiation

μ = 9.22 mm−1

T = 293 K

0.19 × 0.15 × 0.05 mm

Data collection

Kuma KM-4 four-circle diffractometer

Absorption correction: analytical (CrysAlis RED; Oxford Diffraction, 2008) ▶ T min = 0.091, T max = 0.467

3570 measured reflections

3281 independent reflections

2568 reflections with I > 2σ(I)

R int = 0.027

3 standard reflections every 200 reflections intensity decay: 25.2%

Refinement

R[F 2 > 2σ(F 2)] = 0.037

wR(F 2) = 0.114

S = 1.07

3281 reflections

118 parameters

H-atom parameters constrained

Δρmax = 1.59 e Å−3

Δρmin = −2.75 e Å−3

Data collection: KM-4 Software (Kuma, 1996 ▶); cell refinement: KM-4 Software; data reduction: DATAPROC (Kuma, 2001 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536811015893/lh5232sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536811015893/lh5232Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[PtI2(C5H5NO)2]·2C2H6OS	Z = 1
Mr = 795.35	F(000) = 368
Triclinic, P1	Dx = 2.356 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 6.0870 (12) Å	Cell parameters from 25 reflections
b = 7.8070 (16) Å	θ = 6–15°
c = 12.305 (3) Å	µ = 9.22 mm−1
α = 76.52 (3)°	T = 293 K
β = 82.95 (3)°	Plate, pale yellow
γ = 81.87 (3)°	0.19 × 0.15 × 0.05 mm
V = 560.5 (2) Å3

Kuma KM-4 four-circle diffractometer	2568 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.027
graphite	θmax = 30.1°, θmin = 1.7°
profile data from ω/2θ scans	h = 0→8
Absorption correction: analytical (CrysAlis RED; Oxford Diffraction, 2008)	k = −10→10
Tmin = 0.091, Tmax = 0.467	l = −17→17
3570 measured reflections	3 standard reflections every 200 reflections
3281 independent reflections	intensity decay: 25.2%

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)] = 0.037	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.114	H-atom parameters constrained
S = 1.07	w = 1/[σ2(Fo2) + (0.0739P)2 + 0.7284P] where P = (Fo2 + 2Fc2)/3
3281 reflections	(Δ/σ)max < 0.001
118 parameters	Δρmax = 1.59 e Å−3
0 restraints	Δρmin = −2.75 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 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	0.5000	0.5000	0.5000	0.03310 (11)
I1	0.52440 (7)	0.68468 (5)	0.64805 (4)	0.04702 (13)
S1	0.9980 (3)	0.2348 (2)	0.93997 (17)	0.0497 (4)
N1	0.6905 (8)	0.2937 (6)	0.5856 (4)	0.0358 (9)
O1	0.6176 (9)	−0.0245 (7)	0.8443 (5)	0.0581 (14)
H1	0.7052	−0.0992	0.8805	0.087*
O2	1.1336 (10)	0.2639 (7)	1.0279 (5)	0.0606 (14)
C2	0.6050 (10)	0.1983 (8)	0.6833 (5)	0.0407 (12)
H2	0.4573	0.2293	0.7080	0.049*
C3	0.7252 (10)	0.0565 (7)	0.7490 (5)	0.0385 (11)
C6	0.9025 (10)	0.2500 (8)	0.5501 (6)	0.0425 (13)
H6	0.9629	0.3151	0.4826	0.051*
C4	0.9432 (11)	0.0105 (8)	0.7117 (6)	0.0449 (13)
H4	1.0283	−0.0857	0.7528	0.054*
C5	1.0354 (11)	0.1105 (9)	0.6109 (6)	0.0470 (14)
H5	1.1835	0.0837	0.5852	0.056*
C11	1.0277 (16)	0.4169 (11)	0.8257 (7)	0.063 (2)
H11A	0.9749	0.5250	0.8500	0.095*
H11B	0.9423	0.4073	0.7673	0.095*
H11C	1.1819	0.4176	0.7978	0.095*
C12	0.7179 (15)	0.2967 (17)	0.9862 (10)	0.087 (3)
H12A	0.6764	0.2172	1.0555	0.130*
H12B	0.6230	0.2911	0.9306	0.130*
H12C	0.7020	0.4156	0.9976	0.130*

	U11	U22	U33	U12	U13	U23
Pt1	0.02968 (15)	0.02872 (14)	0.03610 (16)	0.00271 (9)	−0.00194 (10)	−0.00172 (10)
I1	0.0506 (2)	0.0420 (2)	0.0489 (3)	0.00216 (18)	−0.00824 (19)	−0.01362 (18)
S1	0.0558 (9)	0.0362 (7)	0.0553 (10)	−0.0041 (6)	−0.0098 (8)	−0.0051 (7)
N1	0.039 (2)	0.0284 (19)	0.036 (2)	0.0004 (17)	−0.0004 (18)	−0.0029 (17)
O1	0.048 (3)	0.055 (3)	0.057 (3)	−0.006 (2)	−0.005 (2)	0.017 (2)
O2	0.070 (3)	0.047 (3)	0.063 (3)	−0.002 (2)	−0.027 (3)	0.000 (2)
C2	0.035 (3)	0.037 (3)	0.045 (3)	0.006 (2)	−0.006 (2)	−0.003 (2)
C3	0.040 (3)	0.030 (2)	0.042 (3)	−0.003 (2)	−0.003 (2)	−0.002 (2)
C6	0.037 (3)	0.040 (3)	0.046 (3)	0.004 (2)	−0.001 (2)	−0.006 (2)
C4	0.044 (3)	0.040 (3)	0.048 (3)	0.004 (2)	−0.012 (3)	−0.007 (3)
C5	0.036 (3)	0.050 (3)	0.051 (4)	0.008 (2)	−0.004 (2)	−0.011 (3)
C11	0.082 (6)	0.053 (4)	0.045 (4)	0.006 (4)	−0.003 (4)	0.000 (3)
C12	0.052 (5)	0.111 (8)	0.099 (8)	−0.030 (5)	0.011 (5)	−0.024 (7)

Pt1—N1i	2.007 (5)	C3—C4	1.376 (9)
Pt1—N1	2.007 (5)	C6—C5	1.385 (8)
Pt1—I1	2.6021 (8)	C6—H6	0.9300
Pt1—I1i	2.6021 (8)	C4—C5	1.402 (10)
S1—O2	1.514 (6)	C4—H4	0.9300
S1—C11	1.763 (8)	C5—H5	0.9300
S1—C12	1.767 (10)	C11—H11A	0.9600
N1—C6	1.334 (7)	C11—H11B	0.9600
N1—C2	1.345 (8)	C11—H11C	0.9600
O1—C3	1.336 (8)	C12—H12A	0.9600
O1—H1	0.8200	C12—H12B	0.9600
C2—C3	1.383 (8)	C12—H12C	0.9600
C2—H2	0.9300
N1i—Pt1—N1	179.999 (1)	N1—C6—H6	119.0
N1i—Pt1—I1	89.13 (15)	C5—C6—H6	119.0
N1—Pt1—I1	90.87 (15)	C3—C4—C5	119.1 (6)
N1i—Pt1—I1i	90.87 (15)	C3—C4—H4	120.5
N1—Pt1—I1i	89.13 (15)	C5—C4—H4	120.5
I1—Pt1—I1i	180.0	C6—C5—C4	119.0 (6)
O2—S1—C11	105.5 (4)	C6—C5—H5	120.5
O2—S1—C12	105.1 (5)	C4—C5—H5	120.5
C11—S1—C12	97.6 (5)	S1—C11—H11A	109.5
C6—N1—C2	118.5 (5)	S1—C11—H11B	109.5
C6—N1—Pt1	122.1 (4)	H11A—C11—H11B	109.5
C2—N1—Pt1	119.5 (4)	S1—C11—H11C	109.5
C3—O1—H1	109.5	H11A—C11—H11C	109.5
N1—C2—C3	123.5 (5)	H11B—C11—H11C	109.5
N1—C2—H2	118.3	S1—C12—H12A	109.5
C3—C2—H2	118.3	S1—C12—H12B	109.5
O1—C3—C4	125.5 (5)	H12A—C12—H12B	109.5
O1—C3—C2	116.5 (6)	S1—C12—H12C	109.5
C4—C3—C2	118.0 (6)	H12A—C12—H12C	109.5
N1—C6—C5	121.9 (6)	H12B—C12—H12C	109.5

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1···O2ii	0.82	1.77	2.583 (7)	173

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1—H1⋯O2i	0.82	1.77	2.583 (7)	173

Symmetry code: (i) .