Di-aqua-bis-[2-(2-hy-droxy-eth-yl)pyridine-κ(2) N,O]cobalt(II) dichloride.

In the title salt, [Co(C7H9NO)2(H2O)2]Cl2, the Co(II) cation, located on an inversion center, is N,O-chelated by two hy-droxy-ethyl-pyridine ligands and coordinated by two water mol-ecules in a distorted O4N2 octa-hedral geometry. In the crystal, the Cl(-) anions link with the complex cations via O-H⋯Cl hydrogen bonds, forming a three-dimensional supra-molecular architecture. π-π stacking is observed between the pyridine rings of adjacent mol-ecules [centroid-centroid distance = 3.5810 (11) Å].

Related literature

For applications of pyridine derivatives in the synthesis of coordination polymers, see: Sanudo et al. (2003 ▶); Boskovic et al. (2002 ▶). For related complexes containing a 2(2-hy­droxy­eth­yl)pyridine ligand, see: Kong et al. (2009 ▶); Mobin et al. (2010 ▶). For hydrogen-bond motifs, see: Bernstein et al. (1995 ▶).

Experimental

Crystal data

[Co(C7H9NO)2(H2O)2]Cl2

M = 412.17

Orthorhombic,

a = 12.8911 (3) Å

b = 8.0049 (2) Å

c = 16.8757 (4) Å

V = 1741.44 (7) Å3

Z = 4

Mo Kα radiation

μ = 1.31 mm−1

T = 293 K

0.3 × 0.2 × 0.2 mm

Data collection

Bruker APEXII diffractometer

9407 measured reflections

1535 independent reflections

1419 reflections with I > 2σ(I)

R int = 0.015

Refinement

R[F 2 > 2σ(F 2)] = 0.020

wR(F 2) = 0.056

S = 1.04

1535 reflections

115 parameters

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.21 e Å−3

Δρmin = −0.22 e Å−3

Data collection: APEX2 (Bruker, 2006 ▶); cell refinement: SAINT (Bruker, 2006 ▶); data reduction: SAINT; program(s) used to solve structure: SIR2002 (Burla et al., 2005 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEP-3 for Windows (Farrugia, 2012 ▶); software used to prepare material for publication: WinGX (Farrugia, 2012 ▶), Mercury (Macrae et al., 2006 ▶) and POV-RAY (Persistence of Vision Team, 2004 ▶).

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536813018321/xu5717sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536813018321/xu5717Isup2.hkl

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

[Co(C7H9NO)2(H2O)2]Cl2	F(000) = 852
Mr = 412.17	Dx = 1.572 Mg m−3
Orthorhombic, Pbcn	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2n 2ab	Cell parameters from 1536 reflections
a = 12.8911 (3) Å	θ = 3.2–25.1°
b = 8.0049 (2) Å	µ = 1.31 mm−1
c = 16.8757 (4) Å	T = 293 K
V = 1741.44 (7) Å3	Prism, pink
Z = 4	0.3 × 0.2 × 0.2 mm

Bruker APEXII diffractometer	1419 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.015
Graphite monochromator	θmax = 25.1°, θmin = 3.9°
φ scans	h = −14→15
9407 measured reflections	k = −9→9
1535 independent reflections	l = −19→20

Refinement on F2	0 restraints
Least-squares matrix: full	H atoms treated by a mixture of independent and constrained refinement
R[F2 > 2σ(F2)] = 0.020	w = 1/[σ2(Fo2) + (0.0293P)2 + 0.7255P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.056	(Δ/σ)max < 0.001
S = 1.04	Δρmax = 0.21 e Å−3
1535 reflections	Δρmin = −0.22 e Å−3
115 parameters

Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All su's are estimated from the variances of the (full) variance-covariance matrix. The cell e.s.d.'s are taken into account in the estimation of distances, angles and torsion angles

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.

	x	y	z	Uiso*/Ueq
Co1	0.50000	0.50000	0.00000	0.0229 (1)
O1	0.41357 (11)	0.27513 (16)	0.00777 (7)	0.0360 (4)
O1W	0.62402 (10)	0.39039 (16)	0.05822 (8)	0.0360 (4)
N1	0.43197 (11)	0.57142 (18)	0.11153 (8)	0.0272 (4)
C1	0.35447 (17)	0.2261 (3)	0.07500 (12)	0.0476 (7)
C2	0.40794 (17)	0.2792 (2)	0.15026 (11)	0.0413 (6)
C3	0.40051 (14)	0.4625 (2)	0.16765 (10)	0.0288 (5)
C4	0.36041 (17)	0.5176 (2)	0.23920 (11)	0.0367 (6)
C5	0.35342 (16)	0.6852 (3)	0.25479 (11)	0.0417 (6)
C6	0.38502 (15)	0.7962 (2)	0.19758 (12)	0.0404 (6)
C7	0.42246 (14)	0.7350 (2)	0.12727 (11)	0.0331 (6)
Cl	0.34635 (4)	0.01817 (5)	0.40317 (3)	0.0402 (2)
H1	0.3978 (18)	0.211 (3)	−0.0294 (11)	0.0540*
H1A	0.34570	0.10570	0.07490	0.0570*
H1B	0.28620	0.27680	0.07240	0.0570*
H1W	0.6327 (17)	0.2761 (13)	0.0664 (13)	0.0540*
H2A	0.48060	0.24860	0.14680	0.0500*
H2B	0.37800	0.21780	0.19420	0.0500*
H2W	0.6813 (12)	0.436 (2)	0.0664 (14)	0.0540*
H4	0.33820	0.44050	0.27680	0.0440*
H5	0.32780	0.72310	0.30310	0.0500*
H6	0.38110	0.91080	0.20640	0.0490*
H7	0.44230	0.81090	0.08840	0.0400*

	U11	U22	U33	U12	U13	U23
Co1	0.0221 (2)	0.0221 (2)	0.0245 (2)	0.0002 (1)	0.0017 (1)	0.0009 (1)
O1	0.0429 (8)	0.0315 (7)	0.0337 (7)	−0.0128 (6)	0.0066 (6)	−0.0041 (5)
O1W	0.0293 (7)	0.0295 (7)	0.0491 (8)	0.0000 (5)	−0.0083 (6)	0.0071 (6)
N1	0.0259 (7)	0.0276 (7)	0.0280 (7)	0.0020 (6)	0.0025 (6)	−0.0007 (6)
C1	0.0534 (13)	0.0401 (11)	0.0492 (12)	−0.0200 (10)	0.0219 (10)	−0.0088 (9)
C2	0.0564 (13)	0.0310 (10)	0.0365 (10)	−0.0006 (9)	0.0159 (9)	0.0067 (8)
C3	0.0263 (9)	0.0336 (9)	0.0266 (9)	−0.0003 (7)	0.0004 (7)	0.0003 (7)
C4	0.0353 (11)	0.0479 (12)	0.0270 (9)	−0.0029 (8)	0.0034 (8)	−0.0003 (8)
C5	0.0381 (11)	0.0547 (12)	0.0324 (10)	0.0017 (10)	0.0038 (8)	−0.0152 (9)
C6	0.0395 (11)	0.0354 (10)	0.0463 (11)	0.0033 (9)	0.0010 (9)	−0.0134 (9)
C7	0.0306 (10)	0.0297 (9)	0.0389 (10)	0.0004 (7)	0.0022 (8)	−0.0013 (7)
Cl	0.0376 (3)	0.0269 (2)	0.0561 (3)	−0.0017 (2)	−0.0020 (2)	0.0015 (2)

Co1—O1	2.1210 (13)	C2—C3	1.499 (2)
Co1—O1W	2.0715 (13)	C3—C4	1.386 (3)
Co1—N1	2.1537 (14)	C4—C5	1.370 (3)
Co1—O1i	2.1210 (13)	C5—C6	1.374 (3)
Co1—O1Wi	2.0715 (13)	C6—C7	1.371 (3)
Co1—N1i	2.1537 (14)	C1—H1A	0.9704
O1—C1	1.422 (2)	C1—H1B	0.9701
O1—H1	0.84 (2)	C2—H2A	0.9699
O1W—H2W	0.835 (16)	C2—H2B	0.9697
O1W—H1W	0.932 (11)	C4—H4	0.9303
N1—C3	1.350 (2)	C5—H5	0.9305
N1—C7	1.342 (2)	C6—H6	0.9307
C1—C2	1.506 (3)	C7—H7	0.9300
O1—Co1—O1W	90.95 (5)	N1—C3—C4	121.20 (15)
O1—Co1—N1	87.56 (5)	C2—C3—C4	120.39 (15)
O1—Co1—O1i	180.00	N1—C3—C2	118.40 (15)
O1—Co1—O1Wi	89.05 (5)	C3—C4—C5	120.24 (17)
O1—Co1—N1i	92.44 (5)	C4—C5—C6	118.61 (18)
O1W—Co1—N1	90.70 (5)	C5—C6—C7	118.77 (16)
O1i—Co1—O1W	89.05 (5)	N1—C7—C6	123.51 (16)
O1W—Co1—O1Wi	180.00	O1—C1—H1A	109.58
O1W—Co1—N1i	89.30 (5)	O1—C1—H1B	109.54
O1i—Co1—N1	92.44 (5)	C2—C1—H1A	109.58
O1Wi—Co1—N1	89.30 (5)	C2—C1—H1B	109.59
N1—Co1—N1i	180.00	H1A—C1—H1B	108.04
O1i—Co1—O1Wi	90.95 (5)	C1—C2—H2A	108.66
O1i—Co1—N1i	87.56 (5)	C1—C2—H2B	108.64
O1Wi—Co1—N1i	90.70 (5)	C3—C2—H2A	108.70
Co1—O1—C1	124.41 (12)	C3—C2—H2B	108.72
C1—O1—H1	107.4 (15)	H2A—C2—H2B	107.60
Co1—O1—H1	127.1 (15)	C3—C4—H4	119.87
H1W—O1W—H2W	107.4 (17)	C5—C4—H4	119.89
Co1—O1W—H2W	125.1 (12)	C4—C5—H5	120.72
Co1—O1W—H1W	125.4 (13)	C6—C5—H5	120.67
C3—N1—C7	117.65 (14)	C5—C6—H6	120.60
Co1—N1—C7	117.99 (11)	C7—C6—H6	120.63
Co1—N1—C3	124.34 (11)	N1—C7—H7	118.22
O1—C1—C2	110.47 (17)	C6—C7—H7	118.27
C1—C2—C3	114.33 (16)

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1···Clii	0.84 (2)	2.26 (2)	3.0625 (13)	162 (2)
O1W—H1W···Cliii	0.932 (11)	2.145 (12)	3.0738 (13)	174.6 (19)
O1W—H2W···Cliv	0.835 (16)	2.285 (16)	3.1121 (14)	170.4 (15)

Table 1

Selected bond lengths (Å)

Co1—O1	2.1210 (13)
Co1—O1W	2.0715 (13)
Co1—N1	2.1537 (14)

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1—H1⋯Cli	0.84 (2)	2.26 (2)	3.0625 (13)	162 (2)
O1W—H1W⋯Clii	0.932 (11)	2.145 (12)	3.0738 (13)	174.6 (19)
O1W—H2W⋯Cliii	0.835 (16)	2.285 (16)	3.1121 (14)	170.4 (15)

Symmetry codes: (i) ; (ii) ; (iii) .