(2,2′-Bipyridine)(pyridine-2,6-dicarboxyl­ato)oxidovanadium(IV) ethanol monosolvate

Hossein Aghabozorg; Elnaz Tavakoli; Masoud Mirzaei

doi:10.1107/S1600536811002376

. 2011 Jan 22;67(Pt 2):m248–m249. doi: 10.1107/S1600536811002376

(2,2′-Bipyridine)(pyridine-2,6-dicarboxylato)oxidovanadium(IV) ethanol monosolvate

Hossein Aghabozorg ^a,^*, Elnaz Tavakoli ^a, Masoud Mirzaei ^b,^*

PMCID: PMC3051467 PMID: 21522903

Abstract

In the title compound, [V(C₇H₃NO₄)O(C₁₀H₈N₂)]·C₂H₅OH, the V^IV atom exhibits a distorted octahedral coordination environment formed by two pyridyl N atoms of 2,2′-bipyridine (bpy), the vanadyl O atom, and two carboxylate O atoms and one pyridyl N atom of the tridentate pyridine-2,6-dicarboxylate (pydc²⁻) ligand. The pyridyl N atom of the pydc²⁻ anion and one pyridyl N atom of bpy occupy the axial positions. O—H⋯O hydrogen bonds involving the ethanol solvent molecule as donor and a carboxylate O atom as acceptor atoms, as well as C—H⋯O hydrogen bonds, together with π–π stacking interactions between adjacent aromatic rings (average centroid–centroid distance = 3.577 Å), seem to be effective in the stabilization of the crystal packing, resulting in the formation of a three-dimensional structure.

Related literature

For general background to proton-transfer compounds and their complexes, see: Aghabozorg et al. (2008 ▶). For related structures with V^IV, see: Therrien et al. (2002 ▶); Okabe & Muranishi (2002 ▶).

Experimental

Crystal data

[V(C₇H₃NO₄)O(C₁₀H₈N₂)]·C₂H₆O
M _r = 434.30
Monoclinic,
a = 23.246 (2) Å
b = 11.2179 (10) Å
c = 13.9440 (16) Å
β = 97.247 (9)°
V = 3607.1 (6) Å³
Z = 8
Mo Kα radiation
μ = 0.60 mm⁻¹
T = 296 K
0.27 × 0.23 × 0.02 mm

Data collection

Stoe IPDS II Image Plate diffractometer
Absorption correction: multi-scan (MULABS in PLATON; Spek, 2009 ▶) T _min = 0.864, T _max = 1.000
7321 measured reflections
2959 independent reflections
2124 reflections with I > 2I)
R _int = 0.063

Refinement

R[F ² > 2σ(F ²)] = 0.058
wR(F ²) = 0.144
S = 1.03
2959 reflections
263 parameters
18 restraints
H-atom parameters constrained
Δρ_max = 0.40 e Å⁻³
Δρ_min = −0.47 e Å⁻³

Data collection: X-AREA (Stoe & Cie, 2005 ▶); cell refinement: X-AREA; data reduction: X-AREA; 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 PLATON (Spek, 2009 ▶).

Supplementary Material

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536811002376/wm2448sup1.cif

e-67-0m248-sup1.cif^{(22.8KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S1600536811002376/wm2448Isup2.hkl

e-67-0m248-Isup2.hkl^{(145.3KB, hkl)}

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

Table 1. Selected bond lengths (Å).

V1—O5	1.586 (3)
V1—N3	2.020 (3)
V1—O1	2.021 (3)
V1—O2	2.035 (3)
V1—N1	2.130 (3)
V1—N2	2.304 (3)

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Table 2. Hydrogen-bond geometry (Å, °).

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O6—H6⋯O4ⁱ	0.82	2.00	2.815 (6)	173
C1—H1⋯O6ⁱⁱ	0.93	2.50	3.216 (7)	134
C4—H4⋯O1ⁱⁱⁱ	0.93	2.47	3.207 (6)	137
C9—H9⋯O6^iv	0.93	2.50	3.220 (9)	135
C12—H12⋯O5^v	0.93	2.46	3.374 (5)	166
C14—H14⋯O5^vi	0.93	2.52	3.146 (6)	125

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Symmetry codes: (i) Inline graphic ; (ii) ; (iii) ; (iv) ; (v) ; (vi) .

Acknowledgments

We are grateful to the Islamic Azad University, North Tehran Branch, for financial support.

supplementary crystallographic information

Comment

2,2'-Bipyridine (bipy) is a bidentate chelating ligand, forming complexes with many transition metals. Ruthenium and platinum complexes of bipy exhibit intense luminescence, which may have practical applications. In continuation of previous works containing V^IVcomplexes and various basic ligands (Aghabozorg et al., 2008; Therrien et al., 2002; Okabe & Muranishi, 2002), we report preparation and the crystal structure of the title compound, [VO(C₁₀H₈N₂)(C₇H₃NO₄)]^.C₂H₅OH, (I).

In the structure of compound (I) the V^IV atom has a distorted octahedral coordination environment formed by two pyridyl N atoms of 2,2'-bipyridine (C₁₀H₈N₂ or bpy), one O atom of the vanadyl group, and two carboxylate O atoms and one pyridyl N atom of the tridentate pyridine-2,6-dicarboxylate (C₇H₃NO₄ or pydc^2-) ligand. The pyridyl N3 atom of pydc^2- and the pyridyl N1 atom of bpy occupy the axial position (Fig. 1). In the crystalline network of (I), O—H···O hydrogen bonds involving the ethanol solvent and C—H···O hydrogen bonds, together with π—π stacking interactions between adjacent aromatic rings [average centroid-to-centroid distance 3.577 Å], seem to be effective in the stabilization of the crystal packing, resulting in the formation of a three-dimensional structure. In this network, layers of pydc^2- and bpy are alternatingly repeated in the bc plane (Fig. 2).

Experimental

The reaction of vanadium^III chloride (78 mg, 0.5 mmol), bpy (156 mg, 1 mmol) and pydcH₂ (167 mg, 1 mmol) in a 1:2:2 molar ratio in ethanolic/aqueous solution resulted in the formation of green platy [VO(bpy)(pydc)]^.C₂H₅OH crystals.