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

Aghabozorg, H.; Tavakoli, E.; Mirzaei, M.

doi:10.1107/S1600536811002376

Volume 67
Part 2
Pages m248-m249
February 2011

Received 8 January 2011
Accepted 17 January 2011
Online 22 January 2011

Key indicators
Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.008 Å
R = 0.058
wR = 0.144
Data-to-parameter ratio = 11.3
Details

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

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

^aFaculty of Chemistry, Islamic Azad University, North Tehran Branch, Tehran, Iran, and ^bDepartment of Chemistry, School of Sciences, Ferdowsi University of Mashhad, Mashhad 917791436, Iran
Correspondence e-mail: haghabozorg@yahoo.com, mirzaei487@yahoo.com

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 (pydc^2-) ligand. The pyridyl N atom of the pydc^2- anion and one pyridyl N atom of bpy occupy the axial positions. O-HO hydrogen bonds involving the ethanol solvent molecule as donor and a carboxylate O atom as acceptor atoms, as well as C-HO hydrogen bonds, together with [pi] - [pi] 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, C 2/c
a = 23.246 (2) Å
b = 11.2179 (10) Å
c = 13.9440 (16) Å
= 97.247 (9)°
V = 3607.1 (6) Å³
Z = 8
Mo K radiation
= 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[F² > 2(F²)] = 0.058
wR(F²) = 0.144
S = 1.03
2959 reflections
263 parameters
18 restraints
H-atom parameters constrained
_max = 0.40 e Å^-3
_min = -0.47 e Å^-3

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)

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O6-H6O4ⁱ	0.82	2.00	2.815 (6)	173
C1-H1O6ⁱⁱ	0.93	2.50	3.216 (7)	134
C4-H4O1ⁱⁱⁱ	0.93	2.47	3.207 (6)	137
C9-H9O6^iv	0.93	2.50	3.220 (9)	135
C12-H12O5^v	0.93	2.46	3.374 (5)	166
C14-H14O5^vi	0.93	2.52	3.146 (6)	125
Symmetry codes: (i) $[x-{\script{1\over 2}}, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]$ ; (ii) $[x+{\script{1\over 2}}, y+{\script{1\over 2}}, z]$ ; (iii) $[-x+1, y, -z+{\script{1\over 2}}]$ ; (iv) $[x+{\script{1\over 2}}, y-{\script{1\over 2}}, z]$ ; (v) $[-x+{\script{3\over 2}}, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (vi) $[-x+{\script{3\over 2}}, -y+{\script{1\over 2}}, -z]$ .

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 data and figures for this paper are available from the IUCr electronic archives (Reference: WM2448 ).

Acknowledgements

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

References

Aghabozorg, H., Manteghi, F. & Sheshmani, S. (2008). J. Iran. Chem. Soc. 5, 184-227.
Okabe, N. & Muranishi, Y. (2002). Acta Cryst. E58, m287-m289.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Spek, A. L. (2009). Acta Cryst. D65, 148-155.
Stoe & Cie (2005). X-AREA. Stoe & Cie, Darmstadt, Germany.
Therrien, B., Stanislas, S., Stoeckli-Evans, H., Shul'pin, G. B. & Süss-Fink, G. (2002). Acta Cryst. E58, m215-m216.

metal-organic compounds