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The title compound, [Co(C7H7O3)2(C7H9NO)2], crystallizes as a centrosymmetric mononuclear CoII complex with two phenoxy­acetate and two 2-(2-pyrid­yl)ethanol mol­ecules acting as ligands. The phenoxy­acetate anion binds to the CoII ion through one carboxyl­ate O atom, and the 2-(2-pyrid­yl)ethanol mol­ecule acts in a chelating mode. The mol­ecular structure of the complex is stabilized by two intra­molecular O—H...O hydrogen bonds.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806047325/gk2030sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806047325/gk2030Isup2.hkl
Contains datablock I

CCDC reference: 629684

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](C-C)= 0.003 Å
  • R factor = 0.031
  • wR factor = 0.068
  • Data-to-parameter ratio = 14.4

checkCIF/PLATON results

No syntax errors found


No errors found in this datablock

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2000); software used to prepare material for publication: SHELXTL.

Bis(phenoxyacetato-κO)bis[2-(2-pyridyl)ethanol-κ2N,O]cobalt(II) top
Crystal data top
[Co(C7H7O3)2(C7H9NO)2]F(000) = 634
Mr = 607.51Dx = 1.449 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 7496 reflections
a = 8.1938 (5) Åθ = 2.3–27.0°
b = 16.0605 (9) ŵ = 0.67 mm1
c = 10.6108 (6) ÅT = 298 K
β = 94.353 (1)°Prism, pink
V = 1392.32 (14) Å30.18 × 0.13 × 0.10 mm
Z = 2
Data collection top
Bruker SMART APEX CCD
diffractometer
2732 independent reflections
Radiation source: fine-focus sealed tube2134 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.047
φ and ω scansθmax = 26.0°, θmin = 2.3°
Absorption correction: multi-scan
(SADABS; Bruker, 2000)
h = 109
Tmin = 0.881, Tmax = 0.935k = 1916
7496 measured reflectionsl = 1312
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.031Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.068H atoms treated by a mixture of independent and constrained refinement
S = 0.96 w = 1/[σ2(Fo2) + (0.0276P)2]
where P = (Fo2 + 2Fc2)/3
2732 reflections(Δ/σ)max < 0.001
190 parametersΔρmax = 0.33 e Å3
0 restraintsΔρmin = 0.35 e Å3
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
C10.5294 (2)0.23094 (11)0.67625 (17)0.0202 (4)
C20.4489 (2)0.25829 (12)0.56492 (17)0.0246 (4)
H20.39630.22040.50930.030*
C30.4468 (3)0.34261 (13)0.53645 (19)0.0306 (5)
H30.39460.36090.46060.037*
C40.5213 (3)0.39965 (12)0.61925 (18)0.0312 (5)
H40.52100.45600.59910.037*
C50.5967 (2)0.37183 (12)0.73286 (19)0.0275 (5)
H50.64470.41000.79020.033*
C60.6012 (2)0.28833 (11)0.76155 (17)0.0224 (4)
H60.65230.27020.83790.027*
C70.4918 (2)0.08633 (11)0.62587 (18)0.0265 (5)
H7A0.55370.03560.64340.032*
H7B0.51050.10370.54060.032*
C80.3111 (2)0.06752 (10)0.63215 (17)0.0199 (4)
C90.0642 (2)0.16811 (11)0.36865 (16)0.0190 (4)
C100.0672 (2)0.25393 (11)0.35503 (17)0.0232 (4)
H100.12510.27810.29240.028*
C110.0162 (2)0.30327 (11)0.43492 (18)0.0263 (5)
H110.01420.36090.42740.032*
C120.1026 (2)0.26608 (11)0.52604 (17)0.0229 (4)
H120.16090.29800.58040.028*
C130.1007 (2)0.18049 (11)0.53479 (17)0.0194 (4)
H130.15970.15540.59600.023*
C140.1575 (2)0.11405 (11)0.28321 (17)0.0240 (4)
H14A0.25190.09130.33220.029*
H14B0.19790.14890.21770.029*
C150.0616 (3)0.04281 (11)0.22068 (17)0.0261 (5)
H15A0.04480.06260.18720.031*
H15B0.11910.02160.15080.031*
Co10.00000.00000.50000.01634 (11)
N10.01781 (18)0.13126 (9)0.45922 (13)0.0178 (3)
O10.55221 (16)0.14922 (7)0.71178 (12)0.0253 (3)
O20.24991 (15)0.02148 (7)0.54372 (11)0.0197 (3)
O30.23825 (16)0.09485 (7)0.72311 (11)0.0255 (3)
O40.04102 (16)0.02283 (8)0.31011 (11)0.0209 (3)
H4A0.048 (2)0.0502 (12)0.2877 (17)0.025*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.0152 (10)0.0208 (10)0.0253 (10)0.0013 (8)0.0057 (8)0.0021 (8)
C20.0203 (11)0.0319 (12)0.0214 (10)0.0035 (9)0.0006 (8)0.0062 (9)
C30.0291 (12)0.0383 (13)0.0248 (11)0.0026 (10)0.0037 (9)0.0070 (9)
C40.0343 (13)0.0222 (11)0.0382 (13)0.0001 (9)0.0102 (10)0.0049 (9)
C50.0263 (12)0.0239 (11)0.0327 (11)0.0045 (9)0.0056 (9)0.0100 (9)
C60.0183 (11)0.0276 (11)0.0212 (10)0.0022 (8)0.0011 (8)0.0039 (8)
C70.0229 (12)0.0201 (10)0.0371 (12)0.0041 (8)0.0054 (9)0.0102 (9)
C80.0231 (11)0.0120 (9)0.0246 (10)0.0023 (8)0.0023 (9)0.0019 (8)
C90.0170 (10)0.0197 (10)0.0202 (10)0.0022 (8)0.0005 (8)0.0024 (8)
C100.0258 (12)0.0203 (10)0.0236 (10)0.0060 (8)0.0021 (8)0.0055 (8)
C110.0327 (13)0.0137 (10)0.0319 (11)0.0021 (8)0.0016 (9)0.0011 (8)
C120.0251 (12)0.0190 (10)0.0242 (10)0.0024 (8)0.0010 (9)0.0046 (8)
C130.0166 (11)0.0215 (10)0.0202 (10)0.0004 (8)0.0021 (8)0.0018 (8)
C140.0254 (12)0.0213 (11)0.0265 (10)0.0009 (8)0.0101 (9)0.0054 (8)
C150.0363 (13)0.0215 (11)0.0217 (10)0.0009 (9)0.0092 (9)0.0037 (8)
Co10.0173 (2)0.01370 (19)0.01845 (19)0.00041 (15)0.00436 (14)0.00091 (14)
N10.0157 (9)0.0179 (8)0.0198 (8)0.0012 (6)0.0016 (7)0.0015 (6)
O10.0247 (8)0.0181 (7)0.0325 (8)0.0030 (6)0.0023 (6)0.0046 (6)
O20.0190 (7)0.0175 (7)0.0229 (7)0.0002 (5)0.0030 (6)0.0030 (5)
O30.0253 (8)0.0242 (7)0.0279 (7)0.0020 (6)0.0072 (6)0.0086 (6)
O40.0229 (8)0.0187 (7)0.0217 (7)0.0035 (5)0.0058 (6)0.0004 (5)
Geometric parameters (Å, º) top
C1—O11.374 (2)C10—C111.379 (3)
C1—C21.380 (2)C10—H100.9300
C1—C61.391 (2)C11—C121.377 (3)
C2—C31.387 (3)C11—H110.9300
C2—H20.9300C12—C131.378 (2)
C3—C41.379 (3)C12—H120.9300
C3—H30.9300C13—N11.346 (2)
C4—C51.386 (3)C13—H130.9300
C4—H40.9300C14—C151.513 (2)
C5—C61.375 (2)C14—H14A0.9700
C5—H50.9300C14—H14B0.9700
C6—H60.9300C15—O41.437 (2)
C7—O11.424 (2)C15—H15A0.9700
C7—C81.518 (3)C15—H15B0.9700
C7—H7A0.9700Co1—O22.0936 (12)
C7—H7B0.9700Co1—O2i2.0936 (12)
C8—O31.252 (2)Co1—O42.1000 (12)
C8—O21.268 (2)Co1—O4i2.1000 (12)
C9—N11.350 (2)Co1—N1i2.1548 (14)
C9—C101.386 (2)Co1—N12.1548 (14)
C9—C141.505 (2)O4—H4A0.870 (19)
O1—C1—C2125.80 (16)N1—C13—C12123.32 (17)
O1—C1—C6114.35 (16)N1—C13—H13118.3
C2—C1—C6119.81 (17)C12—C13—H13118.3
C1—C2—C3119.61 (17)C9—C14—C15115.45 (16)
C1—C2—H2120.2C9—C14—H14A108.4
C3—C2—H2120.2C15—C14—H14A108.4
C4—C3—C2120.81 (18)C9—C14—H14B108.4
C4—C3—H3119.6C15—C14—H14B108.4
C2—C3—H3119.6H14A—C14—H14B107.5
C3—C4—C5119.11 (18)O4—C15—C14110.39 (14)
C3—C4—H4120.4O4—C15—H15A109.6
C5—C4—H4120.4C14—C15—H15A109.6
C6—C5—C4120.63 (18)O4—C15—H15B109.6
C6—C5—H5119.7C14—C15—H15B109.6
C4—C5—H5119.7H15A—C15—H15B108.1
C5—C6—C1119.96 (18)O2—Co1—O2i180.0
C5—C6—H6120.0O2—Co1—O490.93 (5)
C1—C6—H6120.0O2i—Co1—O489.07 (5)
O1—C7—C8113.93 (15)O2—Co1—O4i89.07 (5)
O1—C7—H7A108.8O2i—Co1—O4i90.93 (5)
C8—C7—H7A108.8O4—Co1—O4i180.0
O1—C7—H7B108.8O2—Co1—N1i93.81 (5)
C8—C7—H7B108.8O2i—Co1—N1i86.19 (5)
H7A—C7—H7B107.7O4—Co1—N1i90.49 (5)
O3—C8—O2126.16 (17)O4i—Co1—N1i89.51 (5)
O3—C8—C7119.20 (16)O2—Co1—N186.19 (5)
O2—C8—C7114.58 (16)O2i—Co1—N193.81 (5)
N1—C9—C10121.58 (17)O4—Co1—N189.51 (5)
N1—C9—C14118.62 (15)O4i—Co1—N190.49 (5)
C10—C9—C14119.78 (16)N1i—Co1—N1180.0
C11—C10—C9119.58 (18)C13—N1—C9117.87 (15)
C11—C10—H10120.2C13—N1—Co1118.98 (12)
C9—C10—H10120.2C9—N1—Co1122.82 (12)
C12—C11—C10119.18 (17)C1—O1—C7117.92 (14)
C12—C11—H11120.4C8—O2—Co1125.83 (12)
C10—C11—H11120.4C15—O4—Co1122.75 (11)
C11—C12—C13118.44 (18)C15—O4—H4A109.2 (12)
C11—C12—H12120.8Co1—O4—H4A99.1 (13)
C13—C12—H12120.8
Symmetry code: (i) x, y, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O4—H4A···O3i0.870 (19)1.71 (2)2.5643 (18)166.2 (19)
Symmetry code: (i) x, y, z+1.
 

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