Dichloridobis(pyridine-2-carboxyl­ato-κ2N,O)platinum(IV) acetonitrile solvate

Kim, N.-H.; Hwang, I.-C.; Ha, K.

doi:10.1107/S1600536809017966

metal-organic compounds

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ISSN: 2056-9890

Volume 65| Part 6| June 2009| Page m667

doi:10.1107/S1600536809017966

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Dichloridobis(pyridine-2-carboxylato-κ²N,O)platinum(IV) acetonitrile solvate

Nam-Ho Kim,^a In-Chul Hwang ^b and Kwang Ha ^a ^*

^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

(Received 12 May 2009; accepted 13 May 2009; online 20 May 2009)

The asymmetric unit of the title compound, [PtCl₂(C₆H₄NO₂)₂]·CH₃CN, contains a neutral Pt^IV 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.

Related 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

[PtCl₂(C₆H₄NO₂)₂]·C₂H₃N
M_r = 551.25
Monoclinic, P 2₁ /c
a = 6.103 (3) Å
b = 27.988 (12) Å
c = 9.823 (4) Å
β = 91.076 (7)°
V = 1677.7 (12) Å³
Z = 4
Mo Kα radiation
μ = 8.71 mm⁻¹
T = 293 K
0.20 × 0.15 × 0.15 mm

Data collection

Bruker SMART 1000 CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2000 ) T_min = 0.203, T_max = 0.271
9732 measured reflections
3437 independent reflections
3051 reflections with I > 2σ(I)
R_int = 0.025

Refinement

R[F² > 2σ(F²)] = 0.023
wR(F²) = 0.052
S = 1.11
3437 reflections
218 parameters
H-atom parameters constrained
Δρ_max = 1.04 e Å⁻³
Δρ_min = −0.58 e Å⁻³

Table 1
Selected bond lengths (Å)

Pt1—O1	1.999 (3)
Pt1—N2	2.013 (3)
Pt1—O3	2.022 (3)
Pt1—N1	2.025 (4)
Pt1—Cl2	2.2910 (14)
Pt1—Cl1	2.3003 (13)

Table 2
Hydrogen-bond geometry (Å, °)

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⋯O2^iv	0.96	2.43	3.256 (8)	144
C13—H13B⋯Cl1^v	0.96	2.84	3.625 (7)	140
Symmetry codes: (i) $[x+1, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]$ ; (ii) x+1, y, z; (iii) -x+1, -y, -z+1; (iv) $[x, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]$ ; (v) x, y, z+1.

Data collection: SMART (Bruker, 2000); cell refinement: 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

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809017966/bt2950sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536809017966/bt2950Isup2.hkl

checkCIF report

Comment top

The asymmetric unit of the title compound, [PtCl₂(C₆H₄NO₂)₂].CH₃CN, contains a neutral Pt^IV 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.

Related literature top

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 top

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.

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: 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).

Figures top

	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.

Dichloridobis(pyridine-2-carboxylato-κ²N,O)platinum(IV) acetonitrile solvate top

Crystal data top

[PtCl₂(C₆H₄NO₂)₂]·C₂H₃N	F(000) = 1040
M_r = 551.25	D_x = 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

Data collection top

Bruker SMART 1000 CCD diffractometer	3437 independent reflections
Radiation source: fine-focus sealed tube	3051 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.025
ϕ and ω scans	θ_max = 26.4°, θ_min = 1.5°
Absorption correction: multi-scan (SADABS; Bruker, 2000)	h = −6→7
T_min = 0.203, T_max = 0.271	k = −35→33
9732 measured reflections	l = −12→12

Refinement top

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(F_o²) + (0.0126P)² + 3.1343P] where P = (F_o² + 2F_c²)/3
3437 reflections	(Δ/σ)_max = 0.001
218 parameters	Δρ_max = 1.04 e Å⁻³
0 restraints	Δρ_min = −0.58 e Å⁻³

Crystal data top

[PtCl₂(C₆H₄NO₂)₂]·C₂H₃N	V = 1677.7 (12) Å³
M_r = 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)°

Data collection top

Bruker SMART 1000 CCD diffractometer	3437 independent reflections
Absorption correction: multi-scan (SADABS; Bruker, 2000)	3051 reflections with I > 2σ(I)
T_min = 0.203, T_max = 0.271	R_int = 0.025
9732 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.023	0 restraints
wR(F²) = 0.052	H-atom parameters constrained
S = 1.11	Δρ_max = 1.04 e Å⁻³
3437 reflections	Δρ_min = −0.58 e Å⁻³
218 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

	x	y	z	U_iso*/U_eq
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)

Atomic displacement parameters (Å²) top

	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)

Geometric parameters (Å, º) top

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)

Hydrogen-bond geometry (Å, º) top

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···O2^iv	0.96	2.43	3.256 (8)	144
C13—H13B···Cl1^v	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
M_r	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)
T_min, T_max	0.203, 0.271
No. of measured, independent and observed [I > 2σ(I)] reflections	9732, 3437, 3051
R_int	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
Δρ_max, Δρ_min (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).

Selected bond lengths (Å) top

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)

Hydrogen-bond geometry (Å, º) top

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···O2^iv	0.96	2.43	3.256 (8)	144.0
C13—H13B···Cl1^v	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).

References

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