(2,2'-Bipyridine-κN,N')diiodido-palladium(II).

The asymmetric unit of the title complex, [PdI(2)(C(10)H(8)N(2))], contains one half of the formula unit. The Pd(2+) ion is located on a twofold rotation axis and is four-coordinated in a slightly distorted square-planar environment by two N atoms of the chelating 2,2'-bipyridine ligand and two iodide ions. The compound displays inter-molecular π-π inter-actions between the pyridine rings of the ligand, the shortest centroid-centroid distance being 4.220 (4) Å.

Related literature

For the crystal structures of [PdX 2(bipy)] (bipy = 2,2′-bipyridine; X = Cl or Br), see: Maekawa et al. (1991 ▶); Smeets et al. (1997 ▶). For the crystal structures of [PdX 2(bipy)]·CH2Cl2 (X = Cl or Br), see: Vicente et al. (1997 ▶); Kim et al. (2009 ▶); Kim & Ha (2009 ▶).

Experimental

Crystal data

[PdI2(C10H8N2)]

M = 516.38

Monoclinic,

a = 17.232 (4) Å

b = 9.8273 (19) Å

c = 7.6868 (15) Å

β = 111.438 (3)°

V = 1211.6 (4) Å3

Z = 4

Mo Kα radiation

μ = 6.60 mm−1

T = 293 K

0.25 × 0.05 × 0.05 mm

Data collection

Bruker SMART 1000 CCD diffractometer

Absorption correction: multi-scan (; Bruker, 2000 ▶) T min = 0.139, T max = 0.719

3458 measured reflections

1240 independent reflections

1049 reflections with I > 2σ(I)

R int = 0.025

Refinement

R[F 2 > 2σ(F 2)] = 0.032

wR(F 2) = 0.071

S = 1.06

1240 reflections

69 parameters

H-atom parameters constrained

Δρmax = 0.60 e Å−3

Δρmin = −0.65 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 datablocks global, I. DOI: 10.1107/S1600536809047771/is2486sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809047771/is2486Isup2.hkl

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

[PdI2(C10H8N2)]	F(000) = 936
Mr = 516.38	Dx = 2.831 Mg m−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 550 reflections
a = 17.232 (4) Å	θ = 2.4–24.4°
b = 9.8273 (19) Å	µ = 6.60 mm−1
c = 7.6868 (15) Å	T = 293 K
β = 111.438 (3)°	Needle, brown
V = 1211.6 (4) Å3	0.25 × 0.05 × 0.05 mm
Z = 4

Bruker SMART 1000 CCD diffractometer	1240 independent reflections
Radiation source: fine-focus sealed tube	1049 reflections with I > 2σ(I)
graphite	Rint = 0.025
φ and ω scans	θmax = 26.4°, θmin = 2.4°
Absorption correction: multi-scan (SADABS; Bruker, 2000)	h = −21→13
Tmin = 0.139, Tmax = 0.719	k = −11→12
3458 measured reflections	l = −9→9

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)] = 0.032	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.071	H-atom parameters constrained
S = 1.06	w = 1/[σ2(Fo2) + (0.0328P)2] where P = (Fo2 + 2Fc2)/3
1240 reflections	(Δ/σ)max < 0.001
69 parameters	Δρmax = 0.60 e Å−3
0 restraints	Δρmin = −0.65 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
Pd1	0.0000	−0.19021 (5)	0.2500	0.03813 (17)
I1	0.10045 (3)	−0.37899 (4)	0.43052 (5)	0.06273 (19)
N1	0.0755 (3)	−0.0277 (4)	0.3822 (6)	0.0431 (10)
C1	0.1524 (4)	−0.0339 (6)	0.5132 (7)	0.0546 (14)
H1	0.1767	−0.1188	0.5499	0.066*
C2	0.1966 (4)	0.0802 (7)	0.5952 (9)	0.0655 (17)
H2	0.2495	0.0725	0.6871	0.079*
C3	0.1617 (4)	0.2050 (6)	0.5399 (9)	0.0656 (18)
H3	0.1902	0.2837	0.5944	0.079*
C4	0.0840 (4)	0.2128 (6)	0.4029 (9)	0.0611 (17)
H4	0.0597	0.2972	0.3627	0.073*
C5	0.0418 (4)	0.0954 (5)	0.3248 (8)	0.0446 (12)

	U11	U22	U33	U12	U13	U23
Pd1	0.0378 (3)	0.0339 (3)	0.0385 (3)	0.000	0.0091 (2)	0.000
I1	0.0636 (3)	0.0471 (3)	0.0633 (3)	0.01213 (18)	0.0064 (2)	0.00869 (16)
N1	0.043 (2)	0.043 (2)	0.045 (2)	−0.002 (2)	0.018 (2)	−0.0005 (19)
C1	0.046 (3)	0.062 (4)	0.050 (3)	−0.003 (3)	0.012 (3)	−0.004 (3)
C2	0.050 (4)	0.087 (5)	0.056 (4)	−0.019 (4)	0.016 (3)	−0.015 (3)
C3	0.065 (4)	0.060 (4)	0.082 (4)	−0.029 (4)	0.039 (4)	−0.028 (3)
C4	0.067 (4)	0.050 (3)	0.074 (4)	−0.018 (3)	0.036 (4)	−0.015 (3)
C5	0.050 (3)	0.039 (3)	0.056 (3)	−0.001 (2)	0.033 (3)	−0.002 (2)

Pd1—N1	2.076 (4)	C2—C3	1.364 (9)
Pd1—N1i	2.076 (4)	C2—H2	0.9300
Pd1—I1i	2.5704 (6)	C3—C4	1.370 (9)
Pd1—I1	2.5704 (6)	C3—H3	0.9300
N1—C1	1.341 (7)	C4—C5	1.378 (7)
N1—C5	1.345 (6)	C4—H4	0.9300
C1—C2	1.372 (8)	C5—C5i	1.480 (12)
C1—H1	0.9300
N1—Pd1—N1i	79.4 (2)	C3—C2—C1	119.0 (6)
N1—Pd1—I1i	175.85 (12)	C3—C2—H2	120.5
N1i—Pd1—I1i	96.48 (12)	C1—C2—H2	120.5
N1—Pd1—I1	96.48 (12)	C2—C3—C4	119.0 (6)
N1i—Pd1—I1	175.85 (12)	C2—C3—H3	120.5
I1i—Pd1—I1	87.61 (3)	C4—C3—H3	120.5
C1—N1—C5	118.5 (5)	C3—C4—C5	120.0 (6)
C1—N1—Pd1	127.1 (4)	C3—C4—H4	120.0
C5—N1—Pd1	114.4 (4)	C5—C4—H4	120.0
N1—C1—C2	122.6 (6)	N1—C5—C4	120.9 (6)
N1—C1—H1	118.7	N1—C5—C5i	115.9 (3)
C2—C1—H1	118.7	C4—C5—C5i	123.2 (4)
N1i—Pd1—N1—C1	−178.7 (6)	C2—C3—C4—C5	0.8 (9)
I1—Pd1—N1—C1	2.1 (5)	C1—N1—C5—C4	−2.1 (8)
N1i—Pd1—N1—C5	0.5 (3)	Pd1—N1—C5—C4	178.6 (4)
I1—Pd1—N1—C5	−178.7 (3)	C1—N1—C5—C5i	177.9 (6)
C5—N1—C1—C2	2.3 (9)	Pd1—N1—C5—C5i	−1.4 (7)
Pd1—N1—C1—C2	−178.5 (4)	C3—C4—C5—N1	0.6 (9)
N1—C1—C2—C3	−0.9 (10)	C3—C4—C5—C5i	−179.4 (6)
C1—C2—C3—C4	−0.6 (10)

Pd1—N1	2.076 (4)
Pd1—I1	2.5704 (6)

N1—Pd1—N1i

79.4 (2)

Symmetry code: (i) .