trans-Dichlorido-bis(3,4-dimethyl-pyridine)platinum(II).

In the title compound, trans-[PtCl(2)(C(7)H(9)N)(2)], the Pt(II) atom is located on an inversion center and is coordinated by two 3,4-dimethyl-pyridine ligands and two chloride ligands, resulting in a typical slightly distorted square-planar geometry. The crystallographic inversion centre forces the value of the C-N-N-C torsion angle to be linear and the 3,4-dimethyl-pyridine ligands to be coplanar.

Related literature

For related complexes see: Tessier & Rochon (1999 ▶); Eremenko et al. (1997 ▶); Shaver et al. (2000 ▶); Zordan et al. (2005 ▶); Rochon et al. (1996 ▶); Colamarino & Orioli (1975 ▶). For the geometry of the pyridine ligand, see: Bond & Davies (2002 ▶). For related literature, see: Orpen et al. (1989 ▶).

Experimental

Crystal data

[PtCl2(C7H9N)2]

M = 480.29

Monoclinic,

a = 7.9763 (5) Å

b = 7.1102 (3) Å

c = 13.3586 (7) Å

β = 98.247 (5)°

V = 749.77 (7) Å3

Z = 2

Mo Kα radiation

μ = 9.70 mm−1

T = 120 (2) K

0.21 × 0.20 × 0.10 mm

Data collection

Nonius KappaCCD diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 2003 ▶) T min = 0.201, T max = 0.381

17165 measured reflections

2177 independent reflections

1705 reflections with I > 2σ(I)

R int = 0.033

Refinement

R[F 2 > 2σ(F 2)] = 0.015

wR(F 2) = 0.030

S = 1.08

2177 reflections

90 parameters

H-atom parameters constrained

Δρmax = 0.67 e Å−3

Δρmin = −0.78 e Å−3

Data collection: COLLECT (Bruker–Nonius, 2004 ▶); cell refinement: EVALCCD (Duisenberg et al., 2003 ▶); data reduction: EVALCCD; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: DIAMOND (Brandenburg, 2006 ▶); software used to prepare material for publication: SHELXL97.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536808041597/kj2108sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808041597/kj2108Isup2.hkl

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

[PtCl2(C7H9N)2]	F(000) = 456
Mr = 480.29	Dx = 2.127 Mg m−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 2339 reflections
a = 7.9763 (5) Å	θ = 1.0–20.0°
b = 7.1102 (3) Å	µ = 9.70 mm−1
c = 13.3586 (7) Å	T = 120 K
β = 98.247 (5)°	Block, pale yellow
V = 749.77 (7) Å3	0.21 × 0.20 × 0.10 mm
Z = 2

Nonius KappaCCD diffractometer	2177 independent reflections
Radiation source: fine-focus sealed tube	1705 reflections with I > 2σ(I)
horizontally mounted graphite crystal	Rint = 0.033
Detector resolution: 9 pixels mm-1 pixels mm-1	θmax = 30.0°, θmin = 2.8°
φ scans and ω scans with κ offset	h = −11→10
Absorption correction: multi-scan (SADABS; Sheldrick, 2003)	k = −10→9
Tmin = 0.201, Tmax = 0.381	l = −18→18
17165 measured reflections

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)] = 0.015	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.030	H-atom parameters constrained
S = 1.08	w = 1/[σ2(Fo2) + (0.0064P)2 + 0.7739P] where P = (Fo2 + 2Fc2)/3
2177 reflections	(Δ/σ)max < 0.001
90 parameters	Δρmax = 0.67 e Å−3
0 restraints	Δρmin = −0.78 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	0.0000	0.0000	0.01078 (3)
Cl1	−0.12594 (8)	−0.27477 (8)	0.03883 (4)	0.01897 (11)
N1	0.0259 (2)	0.0765 (3)	0.14663 (13)	0.0127 (4)
C1	−0.0247 (3)	0.2464 (3)	0.17546 (16)	0.0143 (4)
H1	−0.0716	0.3324	0.1246	0.017*
C2	−0.0115 (3)	0.3015 (3)	0.27567 (16)	0.0141 (4)
C3	−0.0729 (3)	0.4918 (3)	0.30137 (17)	0.0227 (5)
H3A	−0.1179	0.5582	0.2390	0.034*
H3B	0.0215	0.5637	0.3379	0.034*
H3C	−0.1623	0.4781	0.3440	0.034*
C4	0.0634 (3)	0.1776 (3)	0.35029 (16)	0.0138 (4)
C5	0.0883 (3)	0.2318 (4)	0.45953 (16)	0.0188 (5)
H5A	0.1668	0.3383	0.4702	0.028*
H5B	0.1353	0.1249	0.5006	0.028*
H5C	−0.0209	0.2676	0.4795	0.028*
C6	0.1162 (3)	0.0044 (4)	0.31969 (15)	0.0161 (4)
H6	0.1677	−0.0824	0.3688	0.019*
C7	0.0948 (3)	−0.0435 (3)	0.21858 (17)	0.0163 (5)
H7	0.1297	−0.1645	0.1994	0.020*

	U11	U22	U33	U12	U13	U23
Pt1	0.01278 (5)	0.01094 (5)	0.00822 (5)	0.00154 (6)	0.00017 (3)	−0.00158 (5)
Cl1	0.0265 (3)	0.0165 (2)	0.0140 (2)	−0.0048 (2)	0.0032 (2)	−0.0015 (2)
N1	0.0139 (9)	0.0141 (8)	0.0096 (8)	0.0001 (8)	0.0003 (7)	−0.0017 (7)
C1	0.0145 (10)	0.0156 (11)	0.0126 (9)	−0.0004 (9)	0.0014 (8)	0.0006 (8)
C2	0.0168 (11)	0.0133 (11)	0.0132 (10)	−0.0030 (9)	0.0050 (8)	−0.0033 (8)
C3	0.0370 (13)	0.0158 (10)	0.0165 (10)	0.0026 (13)	0.0077 (9)	−0.0002 (11)
C4	0.0122 (10)	0.0181 (11)	0.0111 (10)	−0.0041 (9)	0.0019 (8)	−0.0013 (8)
C5	0.0222 (12)	0.0232 (12)	0.0109 (10)	−0.0042 (10)	0.0018 (9)	−0.0026 (9)
C6	0.0168 (9)	0.0174 (10)	0.0131 (9)	0.0019 (11)	−0.0013 (7)	0.0011 (11)
C7	0.0166 (11)	0.0173 (12)	0.0147 (10)	0.0027 (8)	0.0008 (8)	−0.0010 (8)

Pt1—N1i	2.0148 (18)	C3—H3B	0.9800
Pt1—N1	2.0148 (18)	C3—H3C	0.9800
Pt1—Cl1i	2.2901 (6)	C4—C6	1.382 (3)
Pt1—Cl1	2.2901 (6)	C4—C5	1.495 (3)
N1—C7	1.343 (3)	C5—H5A	0.9800
N1—C1	1.347 (3)	C5—H5B	0.9800
C1—C2	1.384 (3)	C5—H5C	0.9800
C1—H1	0.9500	C6—C7	1.380 (3)
C2—C4	1.398 (3)	C6—H6	0.9500
C2—C3	1.495 (3)	C7—H7	0.9500
C3—H3A	0.9800
N1i—Pt1—N1	180.0	C2—C3—H3C	109.5
N1i—Pt1—Cl1i	89.85 (6)	H3A—C3—H3C	109.5
N1—Pt1—Cl1i	90.15 (6)	H3B—C3—H3C	109.5
N1i—Pt1—Cl1	90.15 (6)	C6—C4—C2	117.88 (19)
N1—Pt1—Cl1	89.85 (6)	C6—C4—C5	121.0 (2)
Cl1i—Pt1—Cl1	180.0	C2—C4—C5	121.1 (2)
C7—N1—C1	118.30 (19)	C4—C5—H5A	109.5
C7—N1—Pt1	119.91 (15)	C4—C5—H5B	109.5
C1—N1—Pt1	121.79 (15)	H5A—C5—H5B	109.5
N1—C1—C2	123.1 (2)	C4—C5—H5C	109.5
N1—C1—H1	118.5	H5A—C5—H5C	109.5
C2—C1—H1	118.5	H5B—C5—H5C	109.5
C1—C2—C4	118.5 (2)	C7—C6—C4	120.6 (2)
C1—C2—C3	119.8 (2)	C7—C6—H6	119.7
C4—C2—C3	121.78 (19)	C4—C6—H6	119.7
C2—C3—H3A	109.5	N1—C7—C6	121.6 (2)
C2—C3—H3B	109.5	N1—C7—H7	119.2
H3A—C3—H3B	109.5	C6—C7—H7	119.2

L	Pt—N	Pt—Cl	N—Pt—Cl
4-picoline [1]	2.024 (5)	2.3046 (18)	90.16 (12)
N-nitroxyethylnicotinamide [2]	2.019 (8)	2.311 (3)	90.8 (2)
4-vinylpyridine [3]	2.021 (3)	2.3000 (9)	89.9 (8)
3-fluoropyridine [4]	2.0177 (20)	2.3013 (12)	89.86 (9)
3-chloropyridine [4]	2.015 (3)	2.3001 (8)	90.55 (8)
3-bromopyridine [4]	1.992 (6)	2.3106 (16)	90.40 (19)
3-iodopyridine [4]	2.019 (5)	2.303 (3)	89.7 (2)
2,6-bis(hydroxymethyl)pyridine [5]	2.040 (7)	2.306 (3)	90m
pyridine [6]	1.977 (2)	2.308 (3)	88.01 (6)

Pt1—N1	2.0148 (18)
Pt1—Cl1	2.2901 (6)

N1—Pt1—Cl1

89.85 (6)