(Acetato-κO)(2,2'-bipyridine-κN,N')trimethyl-platinum(IV) monohydrate.

In the title hydrate, [Pt(CH(3))(3)(CH(3)COO)(C(10)H(8)N(2))]·H(2)O, the Pt(IV) atom exhibits a distorted octa-hedral coordination geometry built up by three methyl ligands in a facial arrangement, a bipyridine ligand and a monodentately bound acetate ligand. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds are observed between the water mol-ecule and the platinum complex, which link the mol-ecules into chains along the c axis.

Related literature

For ligand-substitution reactions of platinum complexes, see: Vetter et al. (2006 ▶); Clegg et al. (1972 ▶); Lindner et al. (2008 ▶); Steinborn & Junicke (2000 ▶). For a description of the Cambridge Structural Database, see: Allen (2002 ▶).

Experimental

Crystal data

[Pt(CH3)3(C2H3O2)(C10H8N2)]·H2O

M = 473.44

Monoclinic,

a = 10.972 (3) Å

b = 13.455 (3) Å

c = 13.768 (3) Å

β = 125.05 (3)°

V = 1663.9 (8) Å3

Z = 4

Mo Kα radiation

μ = 8.44 mm−1

T = 293 K

0.48 × 0.34 × 0.24 mm

Data collection

Stoe STADI-IV diffractometer

Absorption correction: ψ scan (X-RED32; Stoe & Cie, 1996 ▶) T min = 0.031, T max = 0.089

4494 measured reflections

2931 independent reflections

2455 reflections with I > 2σ(I)

R int = 0.031

2 standard reflections every 60 min intensity decay: random, +−5%

Refinement

R[F 2 > 2σ(F 2)] = 0.040

wR(F 2) = 0.119

S = 1.06

2931 reflections

199 parameters

2 restraints

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 1.61 e Å−3

Δρmin = −1.79 e Å−3

Data collection: STADI4 (Stoe & Cie, 1996 ▶); cell refinement: STADI4; data reduction: STADI4; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: DIAMOND (Brandenburg, 2001 ▶); software used to prepare material for publication: SHELXL97.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S160053681000499X/tk2621sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S160053681000499X/tk2621Isup2.hkl

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

[Pt(CH3)3(C2H3O2)(C10H8N2)]·H2O	F(000) = 912
Mr = 473.44	Dx = 1.890 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 26 reflections
a = 10.972 (3) Å	θ = 15.1–25.2°
b = 13.455 (3) Å	µ = 8.44 mm−1
c = 13.768 (3) Å	T = 293 K
β = 125.05 (3)°	Block, orange
V = 1663.9 (8) Å3	0.48 × 0.34 × 0.24 mm
Z = 4

Stoe STADI-IV diffractometer	2455 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.031
graphite	θmax = 25.0°, θmin = 2.3°
ω/2θ scans	h = −13→13
Absorption correction: ψ scan (X-RED32; Stoe & Cie, 1996)	k = −16→0
Tmin = 0.031, Tmax = 0.089	l = −13→16
4494 measured reflections	2 standard reflections every 60 min
2931 independent reflections	intensity decay: random, +−5%

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.040	H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.119	w = 1/[σ2(Fo2) + (0.0676P)2 + 4.3682P] where P = (Fo2 + 2Fc2)/3
S = 1.06	(Δ/σ)max = 0.001
2931 reflections	Δρmax = 1.61 e Å−3
199 parameters	Δρmin = −1.79 e Å−3
2 restraints	Extinction correction: SHELXL (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
0 constraints	Extinction coefficient: 0.0018 (3)
Primary atom site location: structure-invariant direct methods

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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
C1	−0.0620 (12)	0.7592 (8)	0.1850 (9)	0.072 (3)
H1	−0.0535	0.7673	0.1198	0.087*
H3	−0.1629	0.7714	0.1584	0.087*
H2	−0.0345	0.6926	0.2150	0.087*
C2	−0.0048 (12)	0.7967 (10)	0.4045 (11)	0.081 (3)
H6	0.0412	0.8284	0.4804	0.097*
H5	0.0170	0.7269	0.4158	0.097*
H4	−0.1106	0.8063	0.3591	0.097*
C3	−0.0935 (11)	0.9574 (8)	0.2409 (10)	0.069 (3)
H9	−0.0603	1.0175	0.2869	0.083*
H8	−0.1760	0.9304	0.2387	0.083*
H7	−0.1241	0.9718	0.1616	0.083*
C4	0.3091 (10)	0.7018 (7)	0.3608 (9)	0.058 (2)
C5	0.4295 (13)	0.6271 (9)	0.4412 (12)	0.081 (4)
H11	0.4636	0.5950	0.3986	0.098*
H10	0.3899	0.5782	0.4667	0.098*
H12	0.5113	0.6608	0.5091	0.098*
C6	0.2491 (12)	0.9787 (10)	0.5540 (9)	0.077 (3)
H13	0.2051	0.9358	0.5784	0.093*
C7	0.3426 (14)	1.0548 (11)	0.6304 (10)	0.092 (4)
H14	0.3583	1.0638	0.7038	0.110*
C8	0.4096 (15)	1.1153 (11)	0.5953 (15)	0.098 (5)
H15	0.4738	1.1652	0.6454	0.117*
C9	0.3823 (12)	1.1025 (9)	0.4859 (13)	0.085 (4)
H16	0.4276	1.1437	0.4611	0.102*
C10	0.2869 (9)	1.0279 (7)	0.4123 (9)	0.058 (2)
C11	0.2542 (10)	1.0116 (7)	0.2937 (9)	0.057 (2)
C12	0.3080 (12)	1.0709 (9)	0.2434 (14)	0.085 (4)
H17	0.3648	1.1271	0.2829	0.102*
C13	0.2752 (16)	1.0446 (13)	0.1327 (15)	0.098 (5)
H18	0.3103	1.0832	0.0975	0.117*
C14	0.1935 (17)	0.9642 (12)	0.0776 (12)	0.091 (4)
H19	0.1719	0.9459	0.0041	0.109*
C15	0.1410 (13)	0.9078 (9)	0.1301 (9)	0.069 (3)
H20	0.0846	0.8514	0.0911	0.083*
N1	0.2221 (8)	0.9665 (5)	0.4471 (6)	0.0486 (16)
N2	0.1687 (8)	0.9318 (6)	0.2344 (6)	0.0525 (17)
O1	0.2551 (7)	0.7497 (5)	0.4062 (6)	0.0615 (17)
O2	0.2727 (10)	0.7105 (7)	0.2563 (8)	0.089 (2)
O3	0.4338 (10)	0.7587 (8)	0.6577 (9)	0.088 (3)
H21	0.382 (12)	0.767 (9)	0.685 (10)	0.07 (4)*
H22	0.379 (15)	0.763 (12)	0.580 (10)	0.12 (6)*
Pt1	0.07572 (3)	0.85719 (3)	0.31606 (3)	0.04758 (19)

	U11	U22	U33	U12	U13	U23
C1	0.077 (7)	0.052 (6)	0.069 (7)	−0.020 (5)	0.031 (6)	0.003 (5)
C2	0.070 (6)	0.095 (9)	0.094 (8)	0.007 (6)	0.057 (6)	0.031 (7)
C3	0.057 (5)	0.067 (7)	0.075 (7)	0.015 (5)	0.033 (5)	0.015 (5)
C4	0.058 (5)	0.050 (5)	0.066 (6)	0.001 (4)	0.036 (5)	0.008 (5)
C5	0.071 (7)	0.076 (8)	0.100 (9)	0.017 (6)	0.050 (7)	0.004 (6)
C6	0.075 (7)	0.102 (9)	0.054 (6)	0.018 (6)	0.036 (5)	−0.005 (6)
C7	0.079 (8)	0.108 (11)	0.054 (6)	0.023 (8)	0.018 (6)	−0.027 (7)
C8	0.069 (8)	0.082 (9)	0.107 (12)	−0.003 (6)	0.030 (8)	−0.035 (8)
C9	0.055 (6)	0.068 (7)	0.103 (10)	−0.002 (5)	0.029 (6)	−0.020 (7)
C10	0.043 (4)	0.049 (5)	0.073 (6)	0.009 (4)	0.027 (4)	−0.003 (4)
C11	0.055 (5)	0.055 (6)	0.072 (6)	0.018 (4)	0.042 (5)	0.017 (5)
C12	0.066 (6)	0.070 (7)	0.134 (12)	0.007 (6)	0.067 (7)	0.031 (8)
C13	0.095 (9)	0.120 (13)	0.116 (12)	0.016 (8)	0.083 (9)	0.047 (10)
C14	0.106 (9)	0.121 (12)	0.079 (8)	0.039 (9)	0.072 (8)	0.037 (8)
C15	0.088 (7)	0.078 (7)	0.058 (6)	0.014 (6)	0.051 (6)	0.003 (5)
N1	0.048 (4)	0.051 (4)	0.048 (4)	0.009 (3)	0.029 (3)	0.006 (3)
N2	0.056 (4)	0.058 (4)	0.052 (4)	0.008 (4)	0.036 (3)	0.009 (4)
O1	0.063 (4)	0.062 (4)	0.055 (4)	0.014 (3)	0.032 (3)	0.006 (3)
O2	0.108 (6)	0.095 (6)	0.084 (6)	0.025 (5)	0.067 (5)	0.014 (5)
O3	0.070 (5)	0.118 (8)	0.068 (5)	−0.001 (5)	0.035 (5)	0.014 (5)
Pt1	0.0491 (2)	0.0487 (3)	0.0473 (3)	0.00074 (14)	0.02902 (18)	0.00514 (14)

C1—Pt1	2.036 (10)	C7—H14	0.9300
C1—H1	0.9600	C8—C9	1.37 (2)
C1—H3	0.9600	C8—H15	0.9300
C1—H2	0.9600	C9—C10	1.382 (15)
C2—Pt1	2.041 (11)	C9—H16	0.9300
C2—H6	0.9600	C10—N1	1.345 (13)
C2—H5	0.9600	C10—C11	1.474 (15)
C2—H4	0.9600	C11—N2	1.349 (13)
C3—Pt1	2.032 (9)	C11—C12	1.391 (15)
C3—H9	0.9600	C12—C13	1.40 (2)
C3—H8	0.9600	C12—H17	0.9300
C3—H7	0.9600	C13—C14	1.33 (2)
C4—O2	1.258 (13)	C13—H18	0.9300
C4—O1	1.259 (12)	C14—C15	1.381 (17)
C4—C5	1.518 (14)	C14—H19	0.9300
C5—H11	0.9600	C15—N2	1.326 (12)
C5—H10	0.9600	C15—H20	0.9300
C5—H12	0.9600	N1—Pt1	2.161 (7)
C6—N1	1.335 (13)	N2—Pt1	2.152 (7)
C6—C7	1.403 (18)	O1—Pt1	2.168 (6)
C6—H13	0.9300	O3—H21	0.85 (9)
C7—C8	1.36 (2)	O3—H22	0.88 (11)
Pt1—C1—H1	109.5	N1—C10—C11	117.4 (8)
Pt1—C1—H3	109.5	C9—C10—C11	121.4 (11)
H1—C1—H3	109.5	N2—C11—C12	120.2 (11)
Pt1—C1—H2	109.5	N2—C11—C10	115.6 (8)
H1—C1—H2	109.5	C12—C11—C10	124.2 (11)
H3—C1—H2	109.5	C11—C12—C13	118.7 (13)
Pt1—C2—H6	109.5	C11—C12—H17	120.6
Pt1—C2—H5	109.5	C13—C12—H17	120.6
H6—C2—H5	109.5	C14—C13—C12	119.7 (12)
Pt1—C2—H4	109.5	C14—C13—H18	120.2
H6—C2—H4	109.5	C12—C13—H18	120.2
H5—C2—H4	109.5	C13—C14—C15	119.7 (13)
Pt1—C3—H9	109.5	C13—C14—H19	120.1
Pt1—C3—H8	109.5	C15—C14—H19	120.1
H9—C3—H8	109.5	N2—C15—C14	121.9 (12)
Pt1—C3—H7	109.5	N2—C15—H20	119.1
H9—C3—H7	109.5	C14—C15—H20	119.1
H8—C3—H7	109.5	C6—N1—C10	119.3 (9)
O2—C4—O1	126.2 (9)	C6—N1—Pt1	126.3 (8)
O2—C4—C5	117.9 (10)	C10—N1—Pt1	114.4 (6)
O1—C4—C5	116.0 (10)	C15—N2—C11	119.8 (9)
C4—C5—H11	109.5	C15—N2—Pt1	124.8 (8)
C4—C5—H10	109.5	C11—N2—Pt1	115.4 (6)
H11—C5—H10	109.5	C4—O1—Pt1	126.0 (6)
C4—C5—H12	109.5	H21—O3—H22	112 (10)
H11—C5—H12	109.5	C3—Pt1—C1	89.0 (5)
H10—C5—H12	109.5	C3—Pt1—C2	89.2 (5)
N1—C6—C7	121.4 (13)	C1—Pt1—C2	85.1 (5)
N1—C6—H13	119.3	C3—Pt1—N2	89.6 (4)
C7—C6—H13	119.3	C1—Pt1—N2	99.9 (4)
C8—C7—C6	118.8 (13)	C2—Pt1—N2	174.8 (5)
C8—C7—H14	120.6	C3—Pt1—N1	89.8 (4)
C6—C7—H14	120.6	C1—Pt1—N1	176.5 (4)
C7—C8—C9	119.7 (13)	C2—Pt1—N1	98.2 (4)
C7—C8—H15	120.1	N2—Pt1—N1	76.7 (3)
C9—C8—H15	120.1	C3—Pt1—O1	176.2 (4)
C8—C9—C10	119.6 (14)	C1—Pt1—O1	92.5 (4)
C8—C9—H16	120.2	C2—Pt1—O1	87.4 (4)
C10—C9—H16	120.2	N2—Pt1—O1	93.6 (3)
N1—C10—C9	121.2 (11)	N1—Pt1—O1	88.9 (3)
N1—C6—C7—C8	−1.9 (18)	C12—C11—N2—Pt1	−173.8 (7)
C6—C7—C8—C9	2(2)	C10—C11—N2—Pt1	7.6 (9)
C7—C8—C9—C10	−0.1 (19)	O2—C4—O1—Pt1	3.0 (15)
C8—C9—C10—N1	−1.1 (16)	C5—C4—O1—Pt1	−177.2 (7)
C8—C9—C10—C11	179.9 (10)	C15—N2—Pt1—C3	−92.8 (8)
N1—C10—C11—N2	−4.0 (12)	C11—N2—Pt1—C3	83.5 (7)
C9—C10—C11—N2	175.0 (9)	C15—N2—Pt1—C1	−3.8 (9)
N1—C10—C11—C12	177.5 (9)	C11—N2—Pt1—C1	172.4 (6)
C9—C10—C11—C12	−3.5 (14)	C15—N2—Pt1—N1	177.3 (8)
N2—C11—C12—C13	−1.7 (15)	C11—N2—Pt1—N1	−6.4 (6)
C10—C11—C12—C13	176.7 (10)	C15—N2—Pt1—O1	89.3 (8)
C11—C12—C13—C14	0.2 (19)	C11—N2—Pt1—O1	−94.5 (6)
C12—C13—C14—C15	0(2)	C6—N1—Pt1—C3	93.0 (9)
C13—C14—C15—N2	0.5 (18)	C10—N1—Pt1—C3	−85.4 (7)
C7—C6—N1—C10	0.7 (15)	C6—N1—Pt1—C2	3.8 (9)
C7—C6—N1—Pt1	−177.7 (8)	C10—N1—Pt1—C2	−174.6 (6)
C9—C10—N1—C6	0.8 (13)	C6—N1—Pt1—N2	−177.4 (8)
C11—C10—N1—C6	179.8 (8)	C10—N1—Pt1—N2	4.2 (6)
C9—C10—N1—Pt1	179.3 (7)	C6—N1—Pt1—O1	−83.4 (8)
C11—C10—N1—Pt1	−1.7 (10)	C10—N1—Pt1—O1	98.2 (6)
C14—C15—N2—C11	−2.0 (15)	C4—O1—Pt1—C1	53.9 (8)
C14—C15—N2—Pt1	174.0 (8)	C4—O1—Pt1—C2	138.9 (9)
C12—C11—N2—C15	2.6 (13)	C4—O1—Pt1—N2	−46.2 (8)
C10—C11—N2—C15	−176.0 (8)	C4—O1—Pt1—N1	−122.8 (8)

D—H···A	D—H	H···A	D···A	D—H···A
O3—H22···O1	0.88 (11)	1.96 (11)	2.836 (12)	172 (15)
O3—H21···O2i	0.85 (9)	1.96 (10)	2.810 (14)	177 (11)

C1—Pt1	2.036 (10)
C2—Pt1	2.041 (11)
C3—Pt1	2.032 (9)
N1—Pt1	2.161 (7)
N2—Pt1	2.152 (7)
O1—Pt1	2.168 (6)

C1—Pt1—C2	85.1 (5)
C1—Pt1—N2	99.9 (4)
C2—Pt1—N2	174.8 (5)
C1—Pt1—N1	176.5 (4)
C2—Pt1—N1	98.2 (4)
N2—Pt1—N1	76.7 (3)
C3—Pt1—O1	176.2 (4)

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O3—H22⋯O1	0.88 (11)	1.96 (11)	2.836 (12)	172 (15)
O3—H21⋯O2i	0.85 (9)	1.96 (10)	2.810 (14)	177 (11)

Symmetry code: (i) .