Bis(phenoxy­acetato-κO)bis­[2-(2-pyrid­yl)ethanol-κ²N,O]cobalt(II)

The title compound, [Co(C₇H₇O₃)₂(C₇H₉NO)₂], crystallizes as a centrosymmetric mononuclear Co^II complex with two phenoxy­acetate and two 2-(2-pyrid­yl)ethanol mol­ecules acting as ligands. The phenoxy­acetate anion binds to the Co^II 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.

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

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Computing details

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)

Crystal data

[Co(C7H7O3)2(C7H9NO)2]	F(000) = 634
Mr = 607.51	Dx = 1.449 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 7496 reflections
a = 8.1938 (5) Å	θ = 2.3–27.0°
b = 16.0605 (9) Å	µ = 0.67 mm^−1
c = 10.6108 (6) Å	T = 298 K
β = 94.353 (1)°	Prism, pink
V = 1392.32 (14) Å^3	0.18 × 0.13 × 0.10 mm
Z = 2

Data collection

Bruker SMART APEX CCD diffractometer	2732 independent reflections
Radiation source: fine-focus sealed tube	2134 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.047
φ and ω scans	θmax = 26.0°, θmin = 2.3°
Absorption correction: multi-scan (SADABS; Bruker, 2000)	h = −10→9
Tmin = 0.881, Tmax = 0.935	k = −19→16
7496 measured reflections	l = −13→12

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.031	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.068	H atoms treated by a mixture of independent and constrained refinement
S = 0.96	w = 1/[σ^2(Fo^2) + (0.0276P)^2] where P = (Fo^2 + 2Fc^2)/3
2732 reflections	(Δ/σ)max < 0.001
190 parameters	Δρmax = 0.33 e Å^−3
0 restraints	Δρmin = −0.35 e Å^−3

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq
C1	0.5294 (2)	0.23094 (11)	0.67625 (17)	0.0202 (4)
C2	0.4489 (2)	0.25829 (12)	0.56492 (17)	0.0246 (4)
H2	0.3963	0.2204	0.5093	0.030*
C3	0.4468 (3)	0.34261 (13)	0.53645 (19)	0.0306 (5)
H3	0.3946	0.3609	0.4606	0.037*
C4	0.5213 (3)	0.39965 (12)	0.61925 (18)	0.0312 (5)
H4	0.5210	0.4560	0.5991	0.037*
C5	0.5967 (2)	0.37183 (12)	0.73286 (19)	0.0275 (5)
H5	0.6447	0.4100	0.7902	0.033*
C6	0.6012 (2)	0.28833 (11)	0.76155 (17)	0.0224 (4)
H6	0.6523	0.2702	0.8379	0.027*
C7	0.4918 (2)	0.08633 (11)	0.62587 (18)	0.0265 (5)
H7A	0.5537	0.0356	0.6434	0.032*
H7B	0.5105	0.1037	0.5406	0.032*
C8	0.3111 (2)	0.06752 (10)	0.63215 (17)	0.0199 (4)
C9	0.0642 (2)	0.16811 (11)	0.36865 (16)	0.0190 (4)
C10	0.0672 (2)	0.25393 (11)	0.35503 (17)	0.0232 (4)
H10	0.1251	0.2781	0.2924	0.028*
C11	−0.0162 (2)	0.30327 (11)	0.43492 (18)	0.0263 (5)
H11	−0.0142	0.3609	0.4274	0.032*
C12	−0.1026 (2)	0.26608 (11)	0.52604 (17)	0.0229 (4)
H12	−0.1609	0.2980	0.5804	0.028*
C13	−0.1007 (2)	0.18049 (11)	0.53479 (17)	0.0194 (4)
H13	−0.1597	0.1554	0.5960	0.023*
C14	0.1575 (2)	0.11405 (11)	0.28321 (17)	0.0240 (4)
H14A	0.2519	0.0913	0.3322	0.029*
H14B	0.1979	0.1489	0.2177	0.029*
C15	0.0616 (3)	0.04281 (11)	0.22068 (17)	0.0261 (5)
H15A	−0.0448	0.0626	0.1872	0.031*
H15B	0.1191	0.0216	0.1508	0.031*
Co1	0.0000	0.0000	0.5000	0.01634 (11)
N1	−0.01781 (18)	0.13126 (9)	0.45922 (13)	0.0178 (3)
O1	0.55221 (16)	0.14922 (7)	0.71178 (12)	0.0253 (3)
O2	0.24991 (15)	0.02148 (7)	0.54372 (11)	0.0197 (3)
O3	0.23825 (16)	0.09485 (7)	0.72311 (11)	0.0255 (3)
O4	0.04102 (16)	−0.02283 (8)	0.31011 (11)	0.0209 (3)
H4A	−0.048 (2)	−0.0502 (12)	0.2877 (17)	0.025*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1	0.0152 (10)	0.0208 (10)	0.0253 (10)	−0.0013 (8)	0.0057 (8)	−0.0021 (8)
C2	0.0203 (11)	0.0319 (12)	0.0214 (10)	−0.0035 (9)	0.0006 (8)	−0.0062 (9)
C3	0.0291 (12)	0.0383 (13)	0.0248 (11)	0.0026 (10)	0.0037 (9)	0.0070 (9)
C4	0.0343 (13)	0.0222 (11)	0.0382 (13)	0.0001 (9)	0.0102 (10)	0.0049 (9)
C5	0.0263 (12)	0.0239 (11)	0.0327 (11)	−0.0045 (9)	0.0056 (9)	−0.0100 (9)
C6	0.0183 (11)	0.0276 (11)	0.0212 (10)	−0.0022 (8)	0.0011 (8)	−0.0039 (8)
C7	0.0229 (12)	0.0201 (10)	0.0371 (12)	−0.0041 (8)	0.0054 (9)	−0.0102 (9)
C8	0.0231 (11)	0.0120 (9)	0.0246 (10)	0.0023 (8)	0.0023 (9)	0.0019 (8)
C9	0.0170 (10)	0.0197 (10)	0.0202 (10)	−0.0022 (8)	0.0005 (8)	0.0024 (8)
C10	0.0258 (12)	0.0203 (10)	0.0236 (10)	−0.0060 (8)	0.0021 (8)	0.0055 (8)
C11	0.0327 (13)	0.0137 (10)	0.0319 (11)	−0.0021 (8)	−0.0016 (9)	0.0011 (8)
C12	0.0251 (12)	0.0190 (10)	0.0242 (10)	0.0024 (8)	−0.0010 (9)	−0.0046 (8)
C13	0.0166 (11)	0.0215 (10)	0.0202 (10)	0.0004 (8)	0.0021 (8)	0.0018 (8)
C14	0.0254 (12)	0.0213 (11)	0.0265 (10)	−0.0009 (8)	0.0101 (9)	0.0054 (8)
C15	0.0363 (13)	0.0215 (11)	0.0217 (10)	−0.0009 (9)	0.0092 (9)	0.0037 (8)
Co1	0.0173 (2)	0.01370 (19)	0.01845 (19)	−0.00041 (15)	0.00436 (14)	0.00091 (14)
N1	0.0157 (9)	0.0179 (8)	0.0198 (8)	−0.0012 (6)	0.0016 (7)	0.0015 (6)
O1	0.0247 (8)	0.0181 (7)	0.0325 (8)	−0.0030 (6)	−0.0023 (6)	−0.0046 (6)
O2	0.0190 (7)	0.0175 (7)	0.0229 (7)	0.0002 (5)	0.0030 (6)	−0.0030 (5)
O3	0.0253 (8)	0.0242 (7)	0.0279 (7)	−0.0020 (6)	0.0072 (6)	−0.0086 (6)
O4	0.0229 (8)	0.0187 (7)	0.0217 (7)	−0.0035 (5)	0.0058 (6)	0.0004 (5)

Geometric parameters (Å, º)

C1—O1	1.374 (2)	C10—C11	1.379 (3)
C1—C2	1.380 (2)	C10—H10	0.9300
C1—C6	1.391 (2)	C11—C12	1.377 (3)
C2—C3	1.387 (3)	C11—H11	0.9300
C2—H2	0.9300	C12—C13	1.378 (2)
C3—C4	1.379 (3)	C12—H12	0.9300
C3—H3	0.9300	C13—N1	1.346 (2)
C4—C5	1.386 (3)	C13—H13	0.9300
C4—H4	0.9300	C14—C15	1.513 (2)
C5—C6	1.375 (2)	C14—H14A	0.9700
C5—H5	0.9300	C14—H14B	0.9700
C6—H6	0.9300	C15—O4	1.437 (2)
C7—O1	1.424 (2)	C15—H15A	0.9700
C7—C8	1.518 (3)	C15—H15B	0.9700
C7—H7A	0.9700	Co1—O2	2.0936 (12)
C7—H7B	0.9700	Co1—O2^i	2.0936 (12)
C8—O3	1.252 (2)	Co1—O4	2.1000 (12)
C8—O2	1.268 (2)	Co1—O4^i	2.1000 (12)
C9—N1	1.350 (2)	Co1—N1^i	2.1548 (14)
C9—C10	1.386 (2)	Co1—N1	2.1548 (14)
C9—C14	1.505 (2)	O4—H4A	0.870 (19)
O1—C1—C2	125.80 (16)	N1—C13—C12	123.32 (17)
O1—C1—C6	114.35 (16)	N1—C13—H13	118.3
C2—C1—C6	119.81 (17)	C12—C13—H13	118.3
C1—C2—C3	119.61 (17)	C9—C14—C15	115.45 (16)
C1—C2—H2	120.2	C9—C14—H14A	108.4
C3—C2—H2	120.2	C15—C14—H14A	108.4
C4—C3—C2	120.81 (18)	C9—C14—H14B	108.4
C4—C3—H3	119.6	C15—C14—H14B	108.4
C2—C3—H3	119.6	H14A—C14—H14B	107.5
C3—C4—C5	119.11 (18)	O4—C15—C14	110.39 (14)
C3—C4—H4	120.4	O4—C15—H15A	109.6
C5—C4—H4	120.4	C14—C15—H15A	109.6
C6—C5—C4	120.63 (18)	O4—C15—H15B	109.6
C6—C5—H5	119.7	C14—C15—H15B	109.6
C4—C5—H5	119.7	H15A—C15—H15B	108.1
C5—C6—C1	119.96 (18)	O2—Co1—O2^i	180.0
C5—C6—H6	120.0	O2—Co1—O4	90.93 (5)
C1—C6—H6	120.0	O2^i—Co1—O4	89.07 (5)
O1—C7—C8	113.93 (15)	O2—Co1—O4^i	89.07 (5)
O1—C7—H7A	108.8	O2^i—Co1—O4^i	90.93 (5)
C8—C7—H7A	108.8	O4—Co1—O4^i	180.0
O1—C7—H7B	108.8	O2—Co1—N1^i	93.81 (5)
C8—C7—H7B	108.8	O2^i—Co1—N1^i	86.19 (5)
H7A—C7—H7B	107.7	O4—Co1—N1^i	90.49 (5)
O3—C8—O2	126.16 (17)	O4^i—Co1—N1^i	89.51 (5)
O3—C8—C7	119.20 (16)	O2—Co1—N1	86.19 (5)
O2—C8—C7	114.58 (16)	O2^i—Co1—N1	93.81 (5)
N1—C9—C10	121.58 (17)	O4—Co1—N1	89.51 (5)
N1—C9—C14	118.62 (15)	O4^i—Co1—N1	90.49 (5)
C10—C9—C14	119.78 (16)	N1^i—Co1—N1	180.0
C11—C10—C9	119.58 (18)	C13—N1—C9	117.87 (15)
C11—C10—H10	120.2	C13—N1—Co1	118.98 (12)
C9—C10—H10	120.2	C9—N1—Co1	122.82 (12)
C12—C11—C10	119.18 (17)	C1—O1—C7	117.92 (14)
C12—C11—H11	120.4	C8—O2—Co1	125.83 (12)
C10—C11—H11	120.4	C15—O4—Co1	122.75 (11)
C11—C12—C13	118.44 (18)	C15—O4—H4A	109.2 (12)
C11—C12—H12	120.8	Co1—O4—H4A	99.1 (13)
C13—C12—H12	120.8

Symmetry code: (i) −x, −y, −z+1.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O4—H4A···O3^i	0.870 (19)	1.71 (2)	2.5643 (18)	166.2 (19)

Symmetry code: (i) −x, −y, −z+1.