Bis(2,2'-bipyridyl-κN,N')(sulfato-κO,O')cobalt(II) ethane-1,2-diol monosolvate.

The title compound, [Co(SO(4))(C(10)H(8)N(2))(2)]·C(2)H(6)O(2), has the Co(2+) ion in a distorted octa-hedral CoN(4)O(2) coordination geometry. A twofold rotation axis passes through the Co and S atoms, and through the mid-point of the C-C bond of the ethane-diol mol-ecule. In the crystal, the [CoSO(4)(C(10)H(8)N(2))(2)] and C(2)H(6)O(2) units are held together by a pair of O-H⋯O hydrogen bonds.

Related literature

For applications of cobalt complexes, see: Bottcher et al. (1995 ▶). For related Co compounds with sulfate ions, see: Henning et al. (1975 ▶); Lu et al. (2006 ▶); Zheng & Lin (2003 ▶); Paul et al. (2002 ▶). For isotypic structures, see: Zhong et al. (2006 ▶). Zhong (2010a ▶,b ▶).

Experimental

Crystal data

[Co(SO4)(C10n class="Species">H8N2)2]·C2H6O2

M = 529.44

Monoclinic,

a = 16.916 (3) Å

b = 11.913 (2) Å

c = 12.870 (3) Å

β = 122.16 (3)°

V = 2195.6 (10) Å3

Z = 4

Mo Kα radiation

μ = 0.93 mm−1

T = 223 K

0.25 × 0.20 × 0.15 mm

Data collection

Rigaku Mercury CCD diffractometer

Absorption correction: multi-scan (REQAB; Jan class="Chemical">cobson, 1998 ▶) T min = 0.802, T max = 0.874

6197 measured reflections

2509 independent reflections

2153 reflections with I > 2σ(I)

R int = 0.027

Refinement

R[F 2 > 2σ(F 2)] = 0.037

wR(F 2) = 0.085

S = 1.06

2509 reflections

155 parameters

H-atom parameters constrained

Δρmax = 0.38 e Å−3

Δρmin = −0.36 e Å−3

Data collection: CrystalClear (Rigaku, 2007 ▶); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: XP in SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536810050592/bt5423sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810050592/bt5423Isup2.hkl

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

[Co(SO4)(C10H8N2)2]·C2H6O2	F(000) = 1092
Mr = 529.44	Dx = 1.602 Mg m−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 4711 reflections
a = 16.916 (3) Å	θ = 3.3–27.5°
b = 11.913 (2) Å	µ = 0.93 mm−1
c = 12.870 (3) Å	T = 223 K
β = 122.16 (3)°	Block, orange
V = 2195.6 (10) Å3	0.25 × 0.20 × 0.15 mm
Z = 4

Rigaku Mercury CCD diffractometer	2509 independent reflections
Radiation source: fine-focus sealed tube	2153 reflections with I > 2σ(I)
Graphite Monochromator	Rint = 0.027
Detector resolution: 28.5714 pixels mm-1	θmax = 27.5°, θmin = 3.4°
ω scans	h = −21→18
Absorption correction: multi-scan (REQAB; Jacobson, 1998)	k = −15→12
Tmin = 0.802, Tmax = 0.874	l = −12→16
6197 measured reflections

Refinement on F2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.037	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.085	H-atom parameters constrained
S = 1.06	w = 1/[σ2(Fo2) + (0.042P)2 + 1.1555P] where P = (Fo2 + 2Fc2)/3
2509 reflections	(Δ/σ)max < 0.001
155 parameters	Δρmax = 0.38 e Å−3
0 restraints	Δρmin = −0.36 e Å−3

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.

	x	y	z	Uiso*/Ueq
Co1	0.0000	0.19027 (3)	0.2500	0.02208 (12)
S1	0.0000	−0.03740 (6)	0.2500	0.02590 (17)
O2	0.06779 (10)	−0.10692 (12)	0.24186 (15)	0.0364 (4)
O1	−0.04964 (9)	0.04006 (12)	0.14236 (13)	0.0294 (3)
N2	0.10048 (11)	0.20811 (14)	0.19955 (16)	0.0252 (4)
N1	0.09694 (11)	0.30564 (13)	0.38131 (15)	0.0245 (4)
C10	0.09756 (15)	0.15529 (18)	0.1057 (2)	0.0301 (5)
H10A	0.0499	0.1039	0.0605	0.036*
C8	0.23390 (15)	0.2495 (2)	0.1420 (2)	0.0348 (5)
H8A	0.2787	0.2634	0.1226	0.042*
C1	0.09295 (15)	0.34961 (19)	0.4742 (2)	0.0313 (5)
H1A	0.0431	0.3300	0.4820	0.038*
C6	0.17071 (13)	0.28155 (16)	0.26698 (19)	0.0246 (4)
C3	0.23441 (15)	0.45087 (18)	0.5493 (2)	0.0321 (5)
H3A	0.2806	0.4992	0.6057	0.038*
C9	0.16241 (16)	0.17394 (19)	0.0733 (2)	0.0334 (5)
H9A	0.1581	0.1367	0.0069	0.040*
C4	0.23959 (14)	0.40584 (17)	0.45416 (19)	0.0284 (4)
H4A	0.2896	0.4236	0.4460	0.034*
C5	0.16990 (13)	0.33406 (16)	0.37080 (18)	0.0231 (4)
C7	0.23820 (15)	0.30389 (18)	0.2396 (2)	0.0301 (5)
H7A	0.2858	0.3550	0.2864	0.036*
C2	0.15949 (16)	0.42283 (19)	0.5591 (2)	0.0335 (5)
H2A	0.1538	0.4526	0.6216	0.040*
O3	0.01928 (16)	−0.32127 (14)	0.14765 (18)	0.0554 (5)
H3	0.0241	−0.2604	0.1804	0.083*
C11	0.03386 (18)	−0.4076 (2)	0.2296 (3)	0.0446 (6)
H11A	0.0966	−0.4010	0.3013	0.054*
H11B	0.0297	−0.4790	0.1908	0.054*

	U11	U22	U33	U12	U13	U23
Co1	0.0199 (2)	0.0207 (2)	0.0263 (2)	0.000	0.01267 (16)	0.000
S1	0.0213 (3)	0.0204 (3)	0.0355 (4)	0.000	0.0148 (3)	0.000
O2	0.0300 (8)	0.0279 (8)	0.0558 (10)	0.0043 (7)	0.0258 (7)	−0.0023 (7)
O1	0.0258 (7)	0.0271 (7)	0.0308 (8)	0.0010 (6)	0.0120 (6)	0.0008 (6)
N2	0.0231 (8)	0.0252 (9)	0.0274 (9)	−0.0002 (7)	0.0136 (7)	−0.0020 (7)
N1	0.0232 (8)	0.0244 (9)	0.0270 (9)	−0.0012 (7)	0.0140 (7)	0.0004 (7)
C10	0.0299 (10)	0.0289 (10)	0.0334 (11)	−0.0024 (9)	0.0181 (9)	−0.0054 (9)
C8	0.0318 (11)	0.0389 (13)	0.0410 (13)	0.0008 (10)	0.0242 (10)	0.0046 (10)
C1	0.0309 (11)	0.0347 (11)	0.0307 (11)	−0.0035 (10)	0.0181 (9)	−0.0023 (9)
C6	0.0231 (9)	0.0210 (9)	0.0288 (10)	0.0020 (8)	0.0133 (8)	0.0042 (8)
C3	0.0301 (11)	0.0273 (11)	0.0299 (11)	−0.0039 (9)	0.0100 (9)	−0.0040 (9)
C9	0.0371 (11)	0.0351 (12)	0.0361 (12)	0.0033 (10)	0.0249 (10)	−0.0014 (10)
C4	0.0250 (10)	0.0259 (10)	0.0316 (11)	−0.0029 (9)	0.0133 (9)	0.0003 (9)
C5	0.0225 (9)	0.0200 (9)	0.0251 (10)	0.0022 (8)	0.0116 (8)	0.0038 (7)
C7	0.0257 (10)	0.0318 (11)	0.0349 (12)	−0.0051 (9)	0.0175 (9)	0.0008 (9)
C2	0.0371 (11)	0.0348 (12)	0.0279 (11)	−0.0034 (10)	0.0169 (9)	−0.0053 (9)
O3	0.0969 (16)	0.0373 (10)	0.0538 (12)	−0.0015 (10)	0.0548 (12)	−0.0044 (9)
C11	0.0522 (15)	0.0301 (12)	0.0563 (16)	0.0035 (11)	0.0320 (13)	−0.0021 (11)

Co1—N1	2.1175 (18)	C8—H8A	0.9300
Co1—N1i	2.1175 (18)	C1—C2	1.383 (3)
Co1—N2i	2.1285 (17)	C1—H1A	0.9300
Co1—N2	2.1285 (17)	C6—C7	1.388 (3)
Co1—O1	2.1420 (15)	C6—C5	1.482 (3)
Co1—O1i	2.1420 (15)	C3—C2	1.380 (3)
Co1—S1	2.7122 (9)	C3—C4	1.382 (3)
S1—O2i	1.4629 (15)	C3—H3A	0.9300
S1—O2	1.4629 (15)	C9—H9A	0.9300
S1—O1i	1.4958 (15)	C4—C5	1.388 (3)
S1—O1	1.4958 (15)	C4—H4A	0.9300
N2—C10	1.339 (3)	C7—H7A	0.9300
N2—C6	1.354 (3)	C2—H2A	0.9300
N1—C1	1.339 (3)	O3—C11	1.398 (3)
N1—C5	1.354 (3)	O3—H3	0.8200
C10—C9	1.384 (3)	C11—C11i	1.492 (5)
C10—H10A	0.9300	C11—H11A	0.9700
C8—C7	1.380 (3)	C11—H11B	0.9700
C8—C9	1.384 (3)
N1—Co1—N1i	99.06 (9)	N2—C10—C9	122.8 (2)
N1—Co1—N2i	95.55 (7)	N2—C10—H10A	118.6
N1i—Co1—N2i	76.92 (7)	C9—C10—H10A	118.6
N1—Co1—N2	76.92 (7)	C7—C8—C9	119.5 (2)
N1i—Co1—N2	95.55 (7)	C7—C8—H8A	120.3
N2i—Co1—N2	168.54 (9)	C9—C8—H8A	120.3
N1—Co1—O1	158.26 (6)	N1—C1—C2	123.0 (2)
N1i—Co1—O1	98.95 (6)	N1—C1—H1A	118.5
N2i—Co1—O1	100.31 (6)	C2—C1—H1A	118.5
N2—Co1—O1	89.31 (6)	N2—C6—C7	121.38 (19)
N1—Co1—O1i	98.95 (6)	N2—C6—C5	115.13 (17)
N1i—Co1—O1i	158.26 (6)	C7—C6—C5	123.48 (18)
N2i—Co1—O1i	89.31 (6)	C2—C3—C4	118.8 (2)
N2—Co1—O1i	100.31 (6)	C2—C3—H3A	120.6
O1—Co1—O1i	66.68 (8)	C4—C3—H3A	120.6
N1—Co1—S1	130.47 (5)	C10—C9—C8	118.3 (2)
N1i—Co1—S1	130.47 (5)	C10—C9—H9A	120.8
N2i—Co1—S1	95.73 (5)	C8—C9—H9A	120.8
N2—Co1—S1	95.73 (5)	C3—C4—C5	119.7 (2)
O1—Co1—S1	33.34 (4)	C3—C4—H4A	120.1
O1i—Co1—S1	33.34 (4)	C5—C4—H4A	120.1
O2i—S1—O2	111.03 (13)	N1—C5—C4	121.42 (18)
O2i—S1—O1i	110.97 (9)	N1—C5—C6	115.52 (17)
O2—S1—O1i	109.91 (8)	C4—C5—C6	123.05 (18)
O2i—S1—O1	109.91 (8)	C8—C7—C6	119.3 (2)
O2—S1—O1	110.97 (9)	C8—C7—H7A	120.4
O1i—S1—O1	103.82 (12)	C6—C7—H7A	120.4
O2i—S1—Co1	124.48 (6)	C3—C2—C1	118.8 (2)
O2—S1—Co1	124.48 (6)	C3—C2—H2A	120.6
O1i—S1—Co1	51.91 (6)	C1—C2—H2A	120.6
O1—S1—Co1	51.91 (6)	C11—O3—H3	109.5
S1—O1—Co1	94.75 (8)	O3—C11—C11i	113.9 (2)
C10—N2—C6	118.71 (18)	O3—C11—H11A	108.8
C10—N2—Co1	125.17 (14)	C11i—C11—H11A	108.8
C6—N2—Co1	116.09 (13)	O3—C11—H11B	108.8
C1—N1—C5	118.22 (17)	C11i—C11—H11B	108.8
C1—N1—Co1	125.50 (14)	H11A—C11—H11B	107.7
C5—N1—Co1	116.26 (13)
N1—Co1—S1—O2i	113.14 (10)	O1i—Co1—N2—C6	−99.02 (14)
N1i—Co1—S1—O2i	−66.86 (10)	S1—Co1—N2—C6	−132.39 (13)
N2i—Co1—S1—O2i	10.83 (9)	N1i—Co1—N1—C1	88.69 (17)
N2—Co1—S1—O2i	−169.17 (9)	N2i—Co1—N1—C1	11.08 (18)
O1—Co1—S1—O2i	−89.23 (11)	N2—Co1—N1—C1	−177.68 (18)
O1i—Co1—S1—O2i	90.77 (11)	O1—Co1—N1—C1	−125.71 (19)
N1—Co1—S1—O2	−66.86 (10)	O1i—Co1—N1—C1	−79.09 (18)
N1i—Co1—S1—O2	113.14 (10)	S1—Co1—N1—C1	−91.31 (17)
N2i—Co1—S1—O2	−169.17 (9)	N1i—Co1—N1—C5	−93.12 (14)
N2—Co1—S1—O2	10.83 (9)	N2i—Co1—N1—C5	−170.72 (14)
O1—Co1—S1—O2	90.77 (11)	N2—Co1—N1—C5	0.52 (13)
O1i—Co1—S1—O2	−89.23 (11)	O1—Co1—N1—C5	52.5 (2)
N1—Co1—S1—O1i	22.38 (9)	O1i—Co1—N1—C5	99.11 (14)
N1i—Co1—S1—O1i	−157.62 (9)	S1—Co1—N1—C5	86.88 (14)
N2i—Co1—S1—O1i	−79.94 (9)	C6—N2—C10—C9	−1.1 (3)
N2—Co1—S1—O1i	100.06 (9)	Co1—N2—C10—C9	176.85 (16)
O1—Co1—S1—O1i	180.0	C5—N1—C1—C2	0.3 (3)
N1—Co1—S1—O1	−157.62 (9)	Co1—N1—C1—C2	178.49 (16)
N1i—Co1—S1—O1	22.38 (9)	C10—N2—C6—C7	0.9 (3)
N2i—Co1—S1—O1	100.06 (9)	Co1—N2—C6—C7	−177.24 (16)
N2—Co1—S1—O1	−79.94 (9)	C10—N2—C6—C5	−178.55 (18)
O1i—Co1—S1—O1	180.0	Co1—N2—C6—C5	3.3 (2)
O2i—S1—O1—Co1	118.76 (8)	N2—C10—C9—C8	0.8 (3)
O2—S1—O1—Co1	−118.03 (8)	C7—C8—C9—C10	−0.3 (3)
O1i—S1—O1—Co1	0.0	C2—C3—C4—C5	0.1 (3)
N1—Co1—O1—S1	51.43 (19)	C1—N1—C5—C4	0.6 (3)
N1i—Co1—O1—S1	−162.95 (7)	Co1—N1—C5—C4	−177.70 (14)
N2i—Co1—O1—S1	−84.73 (8)	C1—N1—C5—C6	179.33 (18)
N2—Co1—O1—S1	101.54 (8)	Co1—N1—C5—C6	1.0 (2)
O1i—Co1—O1—S1	0.0	C3—C4—C5—N1	−0.9 (3)
N1—Co1—N2—C10	179.84 (18)	C3—C4—C5—C6	−179.46 (19)
N1i—Co1—N2—C10	−82.12 (18)	N2—C6—C5—N1	−2.8 (3)
N2i—Co1—N2—C10	−130.43 (17)	C7—C6—C5—N1	177.70 (18)
O1—Co1—N2—C10	16.80 (17)	N2—C6—C5—C4	175.85 (17)
O1i—Co1—N2—C10	82.94 (18)	C7—C6—C5—C4	−3.6 (3)
S1—Co1—N2—C10	49.57 (17)	C9—C8—C7—C6	0.1 (3)
N1—Co1—N2—C6	−2.12 (13)	N2—C6—C7—C8	−0.4 (3)
N1i—Co1—N2—C6	95.92 (14)	C5—C6—C7—C8	179.00 (19)
N2i—Co1—N2—C6	47.61 (13)	C4—C3—C2—C1	0.8 (3)
O1—Co1—N2—C6	−165.15 (14)	N1—C1—C2—C3	−1.0 (3)

D—H···A	D—H	H···A	D···A	D—H···A
O3—H3···O2	0.82	1.97	2.758 (2)	160.

Co1—N1	2.1175 (18)
Co1—N2	2.1285 (17)
Co1—O1	2.1420 (15)
S1—O2	1.4629 (15)
S1—O1	1.4958 (15)

N1—Co1—N2	76.92 (7)
O1—Co1—O1i	66.68 (8)
O2i—S1—O2	111.03 (13)
O2—S1—O1	110.97 (9)
O1i—S1—O1	103.82 (12)

Symmetry code: (i) .

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O3—H3⋯O2	0.82	1.97	2.758 (2)	160