Dichlorido[1-(1,10-phenanthrolin-2-yl)-2-pyridone]cadmium(II)

Jin-Min Li

doi:10.1107/S1600536808019740

. 2008 Jul 5;64(Pt 8):m992. doi: 10.1107/S1600536808019740

Dichlorido[1-(1,10-phenanthrolin-2-yl)-2-pyridone]cadmium(II)

Jin-Min Li ^a,^*

PMCID: PMC2962234 PMID: 21203087

Abstract

In the title mononuclear complex, [CdCl₂(C₁₇H₁₁N₃O)], the Cd^II ion assumes a distorted trigonal–bipyramidal coordination geometry. The pyridone plane is twisted out of the 1,10-phenanthroline mean plane by 43.8 (3)°. In the crystal structure, short intermolecular distances [3.627 (4)–3.671 (4) Å] between the centroids of the six- and five-membered Cd-containing rings suggest the existence of π–π interactions, which link the molecules into stacks along the a axis.

Related literature

For a related structure, see Liu et al. (2008 ▶).

Experimental

Crystal data

[CdCl₂(C₁₇H₁₁N₃O)]
M _r = 456.59
Monoclinic,
a = 7.5623 (13) Å
b = 14.105 (3) Å
c = 15.155 (3) Å
β = 97.728 (3)°
V = 1601.9 (5) Å³
Z = 4
Mo Kα radiation
μ = 1.71 mm⁻¹
T = 298 (2) K
0.11 × 0.06 × 0.05 mm

Data collection

Bruker SMART APEX CCD diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 2008 ▶) T _min = 0.835, T _max = 0.920
9188 measured reflections
3476 independent reflections
2229 reflections with I > 2σ(I)
R _int = 0.071

Refinement

R[F ² > 2σ(F ²)] = 0.071
wR(F ²) = 0.136
S = 1.05
3476 reflections
217 parameters
H-atom parameters constrained
Δρ_max = 1.15 e Å⁻³
Δρ_min = −0.83 e Å⁻³

Data collection: SMART (Bruker, 1997 ▶); cell refinement: SAINT (Bruker, 1997 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and local programs.

Supplementary Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536808019740/cv2426sup1.cif

e-64-0m992-sup1.cif^{(19.8KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808019740/cv2426Isup2.hkl

e-64-0m992-Isup2.hkl^{(170.5KB, hkl)}

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

Table 1. Centroid–centroid distances (Å).

Cg1, Cg2 and Cg3 are the centroids of the rings Cd1/N2/N3/C8/C13, C8/C9/C11–C14 and N3/C13–C17, respectively.

Cg1⋯Cg2ⁱ	3.627 (4)
Cg2⋯Cg2ⁱ	3.631 (4)
Cg2⋯Cg3ⁱⁱ	3.671 (4)

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Symmetry codes: (i) Inline graphic ; (ii) .

supplementary crystallographic information

Comment

Derivatives of 1,10-phenanthroline play an important role in modern coordination chemistry, and the complex with 1-(1,10-phenanthrolin-2-yl)-2-pyridone as bridging ligand and termial ligand has been reported (Liu et al., 2008). Here I report the crystal structure of the title complex with 1-(1,10-phenanthrolin-2-yl)-2-pyridone as terminal ligand.

Fig. 1 shows the title coordination structure, revealing that the atom Cd is in a distorted trigonal bipyramidal environment. The dihedral angle between the pyridine ring plane and 1,10-phenanthroline ring system plane is 43.8 (3)°, which is smaller than that of the binuclear Cd^II complex (Liu et al., 2008). The crystal packing exhibits weak π–π stacking interactions involving symmetry-related neigbouring complexes, the relevant distances being Cg1···Cg2ⁱ = 3.627 (4) Å and Cg1···Cg2ⁱ_perp = 3.407 Å and α = 4.70°; Cg2···Cg2ⁱ = 3.631 (4) Å and Cg2···Cg2ⁱ_perp = 3.464 Å and α = 0.00°; Cg2···Cg3ⁱⁱ =3.671 (4) Å and Cg2···Cg3ⁱⁱ_perp = 3.467 Å and α = 1.26° [symmetry codes: (i) -x, 2-y, -z; (ii) 1-x, 2-y, -z; Cg1, Cg2 and Cg3 are centroids of the Cd1/N2/N3/C8/C13, C8/C9/C11–C14 and N3/C13–C17 rings, respectively; Cgi···Cgj_perp is the perpendicular distance from ring Cgi to ring Cgj; α is the dihedral angle between ring plane Cgi and ring plane Cgj].

Experimental

10 ml Methanol solution of 1-(1,10-phenanthrolin-2-yl)-2-pyridone (0.1620 g, 0.593 mmol) was added into 10 ml methanol solution containing CdCl₂.2.5H₂O (0.1352 g, 0.592 mmol) and the mixture was stirred for a few minutes. The colourless single crystals were obtained after the filtrate had been allowed to stand at room temperature for two weeks.