trans-Dichloridobis(quinoline-κN)platinum(II).

In the title complex, trans-[PtCl(2)(C(9)H(7)N)(2)], the Pt(II) ion is four-coordinated in an essentially square-planar coordination environment defined by two N atoms from two quinoline (qu) ligands and two Cl(-) anions. The Pt atom is located on an inversion centre and thus the asymmetric unit contains one half of the complex; the PtN(2)Cl(2) unit is exactly planar. The dihedral angle between the PtN(2)Cl(2) unit and the quinoline ligand is 85.1 (1)°. In the crystal, the complex mol-ecules are stacked into columns along the b axis. In the columns, several inter-molecular π-π inter-actions between the six-membered rings are present, the shortest ring centroid-centroid distance being 3.733 (5) Å between pyridine rings.

Related literature

For the crystal structure of (H-qu)2[PtCl6]·2H2O, see: Ha (2012a ▶). For the crystal structures of the related PtII complexes cis-[PtCl2(qu)2].0.25DMF (DMF = N,N-dimethyl­formamide) and cis-[PtCl2(qu)2].CH3NO2, see: Davies et al. (2001 ▶); Ha (2012b ▶).

Experimental

Crystal data

[PtCl2(C9H7N)2]

M = 524.30

Monoclinic,

a = 16.3722 (18) Å

b = 6.9543 (7) Å

c = 16.0422 (17) Å

β = 118.684 (2)°

V = 1602.4 (3) Å3

Z = 4

Mo Kα radiation

μ = 9.09 mm−1

T = 200 K

0.21 × 0.08 × 0.07 mm

Data collection

Bruker SMART 1000 CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2000 ▶) T min = 0.596, T max = 1.000

4630 measured reflections

1569 independent reflections

1025 reflections with I > 2σ(I)

R int = 0.053

Refinement

R[F 2 > 2σ(F 2)] = 0.034

wR(F 2) = 0.080

S = 0.97

1569 reflections

106 parameters

H-atom parameters constrained

Δρmax = 1.74 e Å−3

Δρmin = −0.97 e Å−3

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.

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536812013608/ng5260sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812013608/ng5260Isup2.hkl

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

[PtCl2(C9H7N)2]	F(000) = 992
Mr = 524.30	Dx = 2.173 Mg m−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 2043 reflections
a = 16.3722 (18) Å	θ = 2.8–25.9°
b = 6.9543 (7) Å	µ = 9.09 mm−1
c = 16.0422 (17) Å	T = 200 K
β = 118.684 (2)°	Block, yellow
V = 1602.4 (3) Å3	0.21 × 0.08 × 0.07 mm
Z = 4

Bruker SMART 1000 CCD diffractometer	1569 independent reflections
Radiation source: fine-focus sealed tube	1025 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.053
φ and ω scans	θmax = 26.0°, θmin = 2.9°
Absorption correction: multi-scan (SADABS; Bruker, 2000)	h = −20→17
Tmin = 0.596, Tmax = 1.000	k = −8→8
4630 measured reflections	l = −19→19

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)] = 0.034	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.080	H-atom parameters constrained
S = 0.97	w = 1/[σ2(Fo2) + (0.0357P)2] where P = (Fo2 + 2Fc2)/3
1569 reflections	(Δ/σ)max < 0.001
106 parameters	Δρmax = 1.74 e Å−3
0 restraints	Δρmin = −0.97 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	0.0000	0.5000	0.0000	0.02655 (16)
Cl1	−0.01185 (14)	0.3931 (3)	0.12923 (14)	0.0373 (5)
N1	0.1091 (4)	0.3178 (9)	0.0354 (4)	0.0270 (15)
C1	0.0927 (5)	0.1473 (11)	−0.0038 (5)	0.0297 (19)
H1	0.0304	0.1167	−0.0492	0.036*
C2	0.1608 (6)	0.0079 (12)	0.0170 (6)	0.0353 (18)
H2	0.1455	−0.1133	−0.0141	0.042*
C3	0.2506 (6)	0.0500 (11)	0.0836 (6)	0.036 (2)
H3	0.2986	−0.0426	0.0998	0.043*
C4	0.2710 (5)	0.2304 (11)	0.1273 (5)	0.0247 (17)
C5	0.3626 (5)	0.2867 (13)	0.1961 (5)	0.036 (2)
H5	0.4125	0.1982	0.2142	0.043*
C6	0.3801 (6)	0.4626 (12)	0.2362 (6)	0.036 (2)
H6	0.4416	0.4970	0.2821	0.043*
C7	0.3073 (6)	0.5943 (14)	0.2100 (6)	0.037 (2)
H7	0.3201	0.7184	0.2382	0.044*
C8	0.2177 (6)	0.5482 (11)	0.1443 (6)	0.031 (2)
H8	0.1691	0.6393	0.1275	0.037*
C9	0.1986 (5)	0.3668 (11)	0.1025 (5)	0.0257 (18)

	U11	U22	U33	U12	U13	U23
Pt1	0.0162 (2)	0.0315 (2)	0.0279 (2)	0.0031 (3)	0.00741 (16)	0.0021 (3)
Cl1	0.0322 (11)	0.0474 (13)	0.0335 (10)	0.0094 (11)	0.0169 (9)	0.0103 (11)
N1	0.016 (3)	0.031 (4)	0.033 (3)	0.000 (3)	0.011 (3)	0.003 (3)
C1	0.023 (4)	0.027 (5)	0.033 (4)	−0.003 (4)	0.009 (4)	−0.005 (4)
C2	0.041 (5)	0.025 (4)	0.045 (4)	0.001 (5)	0.025 (4)	0.001 (5)
C3	0.034 (5)	0.037 (6)	0.045 (5)	0.011 (4)	0.025 (4)	0.011 (4)
C4	0.025 (4)	0.023 (4)	0.033 (4)	0.002 (3)	0.018 (4)	0.007 (4)
C5	0.019 (4)	0.050 (6)	0.036 (5)	0.008 (4)	0.011 (4)	0.009 (4)
C6	0.025 (4)	0.054 (7)	0.029 (4)	0.000 (4)	0.013 (4)	0.000 (4)
C7	0.030 (5)	0.042 (5)	0.033 (4)	−0.005 (4)	0.011 (4)	−0.008 (4)
C8	0.023 (4)	0.036 (6)	0.034 (4)	0.001 (3)	0.014 (4)	−0.005 (4)
C9	0.022 (4)	0.030 (5)	0.026 (4)	0.002 (4)	0.013 (4)	0.004 (4)

Pt1—N1i	2.036 (6)	C3—H3	0.9500
Pt1—N1	2.036 (6)	C4—C9	1.418 (10)
Pt1—Cl1i	2.297 (2)	C4—C5	1.425 (10)
Pt1—Cl1	2.297 (2)	C5—C6	1.347 (10)
N1—C1	1.308 (9)	C5—H5	0.9500
N1—C9	1.382 (9)	C6—C7	1.398 (12)
C1—C2	1.392 (10)	C6—H6	0.9500
C1—H1	0.9500	C7—C8	1.371 (11)
C2—C3	1.371 (12)	C7—H7	0.9500
C2—H2	0.9500	C8—C9	1.392 (11)
C3—C4	1.398 (10)	C8—H8	0.9500
N1i—Pt1—N1	180.0	C3—C4—C9	119.6 (7)
N1i—Pt1—Cl1i	89.40 (18)	C3—C4—C5	123.0 (8)
N1—Pt1—Cl1i	90.60 (18)	C9—C4—C5	117.4 (7)
N1i—Pt1—Cl1	90.60 (18)	C6—C5—C4	121.5 (8)
N1—Pt1—Cl1	89.40 (18)	C6—C5—H5	119.2
Cl1i—Pt1—Cl1	180.00 (10)	C4—C5—H5	119.2
C1—N1—C9	119.7 (7)	C5—C6—C7	119.7 (8)
C1—N1—Pt1	118.7 (5)	C5—C6—H6	120.1
C9—N1—Pt1	121.6 (5)	C7—C6—H6	120.1
N1—C1—C2	124.0 (7)	C8—C7—C6	121.4 (8)
N1—C1—H1	118.0	C8—C7—H7	119.3
C2—C1—H1	118.0	C6—C7—H7	119.3
C3—C2—C1	118.3 (8)	C7—C8—C9	119.5 (7)
C3—C2—H2	120.8	C7—C8—H8	120.2
C1—C2—H2	120.8	C9—C8—H8	120.2
C2—C3—C4	119.4 (8)	N1—C9—C8	120.6 (7)
C2—C3—H3	120.3	N1—C9—C4	119.0 (7)
C4—C3—H3	120.3	C8—C9—C4	120.5 (7)
Cl1i—Pt1—N1—C1	−86.2 (6)	C5—C6—C7—C8	0.3 (13)
Cl1—Pt1—N1—C1	93.8 (6)	C6—C7—C8—C9	−0.2 (12)
Cl1i—Pt1—N1—C9	96.8 (5)	C1—N1—C9—C8	179.3 (7)
Cl1—Pt1—N1—C9	−83.2 (5)	Pt1—N1—C9—C8	−3.7 (9)
C9—N1—C1—C2	−0.6 (12)	C1—N1—C9—C4	0.1 (10)
Pt1—N1—C1—C2	−177.7 (6)	Pt1—N1—C9—C4	177.1 (5)
N1—C1—C2—C3	0.9 (13)	C7—C8—C9—N1	−179.3 (7)
C1—C2—C3—C4	−0.6 (12)	C7—C8—C9—C4	−0.1 (12)
C2—C3—C4—C9	0.2 (12)	C3—C4—C9—N1	0.1 (11)
C2—C3—C4—C5	−179.1 (7)	C5—C4—C9—N1	179.4 (7)
C3—C4—C5—C6	179.2 (8)	C3—C4—C9—C8	−179.1 (7)
C9—C4—C5—C6	−0.1 (11)	C5—C4—C9—C8	0.2 (11)
C4—C5—C6—C7	−0.2 (12)

Pt1—N1	2.036 (6)
Pt1—Cl1	2.297 (2)

N1—Pt1—Cl1

89.40 (18)