catena-Poly[[diaqua-bis-[2-(3-oxo-1,3-di-hydro-2-benzofuran-1-yl)acetato-κO]cobalt(II)]-μ-1,2-bis-(pyridin-4-yl)ethane-κ(2)N:N'].

In the title complex, [Co(C(10)H(7)O(4))(2)(C(12)H(12)N(2))(H(2)O)(2)](n), the Co(II) ion is located on a crystallographic centre of symmetry and is six-coordinated by two N atoms from two 1,2-bis-(4-pyrid-yl)ethane ligands, two carboxylate O atoms from two 1,3-dihydro-3-oxo-1-isobenzofuran-acetate ligands and two terminal water ligands. The 1,2-bis(4-pyrid-yl)ethane ligands act as bidentate ligands, and bridge the Co(II) ions into infinite chains extending parallel to [010]. In these chains, there are intra-mol-ecular O-H⋯O hydrogen bonding between the coordination water mol-ecules and carboxyl-ate groups. Inter-mol-ecular O-H⋯O hydrogen bonding between the adjacent chains and π⋯π stacking inter-actions result in the formation of a three-dimensional supra-molecular network.

Related literature

For in situ ligand reactions, see: Zhang et al. (2005 ▶); Chen et al. (2007 ▶); Zhao et al. (2008 ▶).

Experimental

Crystal data

[Co(C10H7O4)2(C12H12N2)(H2O)2]

M = 661.51

Triclinic,

a = 5.4599 (12) Å

b = 10.374 (2) Å

c = 13.617 (3) Å

α = 93.912 (4)°

β = 99.409 (4)°

γ = 97.651 (4)°

V = 750.9 (3) Å3

Z = 1

Mo Kα radiation

μ = 0.63 mm−1

T = 293 K

0.20 × 0.18 × 0.10 mm

Data collection

Bruker SMART CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 1997 ▶) T min = 0.749, T max = 1.000

4258 measured reflections

3027 independent reflections

2306 reflections with I > 2σ(I)

R int = 0.026

Refinement

R[F 2 > 2σ(F 2)] = 0.055

wR(F 2) = 0.133

S = 1.05

3027 reflections

213 parameters

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.73 e Å−3

Δρmin = −0.61 e Å−3

Data collection: SMART (Bruker, 1997 ▶); cell refinement: SAINT (Bruker, 1997 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL.

Click here for additional data file.

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536812044339/hg5263sup1.cif

Click here for additional data file.

Supplementary material file. DOI: 10.1107/S1600536812044339/hg5263Isup2.cdx

Click here for additional data file.

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812044339/hg5263Isup3.hkl

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

[Co(C10H7O4)2(C12H12N2)(H2O)2]	Z = 1
Mr = 661.51	F(000) = 343
Triclinic, P1	Dx = 1.463 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 5.4599 (12) Å	Cell parameters from 1338 reflections
b = 10.374 (2) Å	θ = 1.5–26.4°
c = 13.617 (3) Å	µ = 0.63 mm−1
α = 93.912 (4)°	T = 293 K
β = 99.409 (4)°	Block, red
γ = 97.651 (4)°	0.20 × 0.18 × 0.10 mm
V = 750.9 (3) Å3

Bruker SMART CCD area-detector diffractometer	3027 independent reflections
Radiation source: fine-focus sealed tube	2306 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.026
phi and ω scans	θmax = 26.4°, θmin = 1.5°
Absorption correction: multi-scan (SADABS; Bruker, 1997)	h = −4→6
Tmin = 0.749, Tmax = 1.000	k = −12→12
4258 measured reflections	l = −16→17

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)] = 0.055	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.133	H atoms treated by a mixture of independent and constrained refinement
S = 1.05	w = 1/[σ2(Fo2) + (0.051P)2 + 0.6286P] where P = (Fo2 + 2Fc2)/3
3027 reflections	(Δ/σ)max < 0.001
213 parameters	Δρmax = 0.73 e Å−3
0 restraints	Δρmin = −0.61 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	0.5000	0.5000	0.5000	0.0231 (2)
N1	0.5225 (5)	0.4729 (3)	0.34064 (18)	0.0312 (7)
O1	0.6967 (4)	0.3420 (2)	0.52914 (16)	0.0326 (6)
O2	0.3880 (5)	0.1819 (3)	0.5357 (3)	0.0613 (9)
O3	0.7376 (7)	0.1884 (4)	0.7644 (2)	0.0817 (12)
O4	0.9063 (9)	0.2427 (5)	0.9246 (3)	0.1123 (17)
C1	0.6125 (7)	0.2293 (4)	0.5499 (3)	0.0358 (9)
C2	0.8056 (8)	0.1465 (4)	0.5951 (3)	0.0498 (11)
H2A	0.8187	0.0778	0.5451	0.060*
H2B	0.9680	0.2009	0.6124	0.060*
C3	0.7443 (8)	0.0860 (5)	0.6858 (3)	0.0566 (12)
H3	0.5815	0.0296	0.6696	0.068*
C4	0.9426 (8)	0.0100 (5)	0.7330 (3)	0.0523 (11)
C5	1.0204 (9)	0.0604 (5)	0.8312 (3)	0.0574 (12)
C6	1.1928 (11)	0.0029 (6)	0.8936 (4)	0.0823 (17)
H6	1.2403	0.0335	0.9607	0.099*
C7	1.2914 (11)	−0.0991 (6)	0.8550 (4)	0.0839 (18)
H7	1.4078	−0.1382	0.8961	0.101*
C8	1.2209 (10)	−0.1446 (5)	0.7563 (4)	0.0710 (15)
H8	1.2932	−0.2131	0.7311	0.085*
C9	1.0467 (9)	−0.0916 (5)	0.6938 (4)	0.0640 (13)
H9	0.9998	−0.1231	0.6268	0.077*
C10	0.8928 (11)	0.1723 (6)	0.8499 (4)	0.0753 (16)
C11	0.7230 (7)	0.5193 (4)	0.3025 (3)	0.0454 (10)
H11	0.8650	0.5601	0.3464	0.054*
C12	0.7320 (8)	0.5102 (5)	0.2011 (3)	0.0532 (11)
H12	0.8763	0.5454	0.1787	0.064*
C13	0.5273 (8)	0.4491 (4)	0.1340 (2)	0.0453 (10)
C14	0.3274 (8)	0.3949 (5)	0.1727 (3)	0.0607 (13)
H14	0.1884	0.3480	0.1305	0.073*
C15	0.3302 (8)	0.4094 (5)	0.2746 (3)	0.0542 (12)
H15	0.1892	0.3725	0.2984	0.065*
C16	0.5295 (10)	0.4387 (5)	0.0226 (3)	0.0609 (13)
H16A	0.6935	0.4220	0.0109	0.073*
H16B	0.4068	0.3655	−0.0098	0.073*
O5	0.1581 (5)	0.3715 (3)	0.47022 (17)	0.0317 (6)
H5A	0.026 (8)	0.368 (4)	0.482 (3)	0.049 (13)*
H5B	0.216 (8)	0.299 (5)	0.491 (3)	0.057 (14)*

	U11	U22	U33	U12	U13	U23
Co1	0.0194 (3)	0.0328 (4)	0.0189 (3)	0.0042 (3)	0.0066 (2)	0.0067 (3)
N1	0.0312 (15)	0.045 (2)	0.0198 (13)	0.0076 (13)	0.0064 (11)	0.0088 (13)
O1	0.0244 (12)	0.0404 (17)	0.0372 (13)	0.0099 (11)	0.0096 (10)	0.0136 (11)
O2	0.0341 (16)	0.046 (2)	0.108 (3)	0.0054 (13)	0.0149 (16)	0.0305 (18)
O3	0.104 (3)	0.095 (3)	0.064 (2)	0.061 (2)	0.026 (2)	0.017 (2)
O4	0.165 (4)	0.123 (4)	0.063 (2)	0.060 (3)	0.036 (3)	−0.007 (2)
C1	0.033 (2)	0.042 (2)	0.0386 (19)	0.0136 (17)	0.0135 (15)	0.0137 (17)
C2	0.049 (2)	0.052 (3)	0.057 (2)	0.021 (2)	0.0152 (19)	0.024 (2)
C3	0.051 (3)	0.056 (3)	0.066 (3)	0.008 (2)	0.010 (2)	0.026 (2)
C4	0.056 (3)	0.050 (3)	0.051 (2)	0.012 (2)	0.002 (2)	0.017 (2)
C5	0.063 (3)	0.060 (3)	0.050 (2)	0.012 (2)	0.007 (2)	0.015 (2)
C6	0.100 (4)	0.089 (5)	0.052 (3)	0.021 (4)	−0.016 (3)	0.019 (3)
C7	0.092 (4)	0.073 (4)	0.083 (4)	0.033 (3)	−0.022 (3)	0.025 (3)
C8	0.073 (3)	0.050 (3)	0.088 (4)	0.022 (3)	−0.006 (3)	0.015 (3)
C9	0.082 (3)	0.045 (3)	0.062 (3)	0.022 (3)	−0.009 (2)	0.003 (2)
C10	0.098 (4)	0.083 (4)	0.056 (3)	0.036 (3)	0.023 (3)	0.016 (3)
C11	0.047 (2)	0.059 (3)	0.0278 (18)	−0.0039 (19)	0.0091 (16)	0.0049 (18)
C12	0.061 (3)	0.067 (3)	0.035 (2)	0.001 (2)	0.023 (2)	0.010 (2)
C13	0.069 (3)	0.052 (3)	0.0201 (17)	0.019 (2)	0.0123 (18)	0.0091 (17)
C14	0.053 (3)	0.097 (4)	0.0250 (19)	0.000 (2)	−0.0016 (18)	−0.007 (2)
C15	0.043 (2)	0.088 (4)	0.0270 (18)	−0.009 (2)	0.0090 (17)	0.002 (2)
C16	0.095 (4)	0.071 (4)	0.0237 (19)	0.033 (3)	0.014 (2)	0.0065 (19)
O5	0.0219 (13)	0.0407 (17)	0.0342 (13)	0.0022 (11)	0.0096 (10)	0.0082 (11)

Co1—O1	2.101 (2)	C5—C10	1.461 (7)
Co1—O1i	2.101 (2)	C6—C7	1.362 (7)
Co1—O5i	2.108 (3)	C6—H6	0.9300
Co1—O5	2.108 (3)	C7—C8	1.369 (7)
Co1—N1i	2.195 (2)	C7—H7	0.9300
Co1—N1	2.195 (2)	C8—C9	1.368 (6)
N1—C15	1.331 (5)	C8—H8	0.9300
N1—C11	1.334 (5)	C9—H9	0.9300
O1—C1	1.266 (4)	C11—C12	1.386 (5)
O2—C1	1.238 (4)	C11—H11	0.9300
O3—C10	1.357 (6)	C12—C13	1.373 (6)
O3—C3	1.464 (6)	C12—H12	0.9300
O4—C10	1.197 (6)	C13—C14	1.360 (6)
C1—C2	1.526 (5)	C13—C16	1.515 (5)
C2—C3	1.488 (5)	C14—C15	1.383 (5)
C2—H2A	0.9700	C14—H14	0.9300
C2—H2B	0.9700	C15—H15	0.9300
C3—C4	1.509 (6)	C16—C16ii	1.501 (9)
C3—H3	0.9800	C16—H16A	0.9700
C4—C9	1.379 (6)	C16—H16B	0.9700
C4—C5	1.379 (6)	O5—H5A	0.76 (4)
C5—C6	1.386 (6)	O5—H5B	0.90 (5)
O1—Co1—O1i	180.000 (1)	C6—C5—C10	131.1 (5)
O1—Co1—O5i	89.80 (10)	C7—C6—C5	118.9 (5)
O1i—Co1—O5i	90.20 (10)	C7—C6—H6	120.5
O1—Co1—O5	90.20 (10)	C5—C6—H6	120.5
O1i—Co1—O5	89.80 (10)	C6—C7—C8	120.6 (4)
O5i—Co1—O5	180.00 (14)	C6—C7—H7	119.7
O1—Co1—N1i	89.22 (9)	C8—C7—H7	119.7
O1i—Co1—N1i	90.78 (9)	C9—C8—C7	121.6 (5)
O5i—Co1—N1i	88.53 (10)	C9—C8—H8	119.2
O5—Co1—N1i	91.47 (10)	C7—C8—H8	119.2
O1—Co1—N1	90.78 (9)	C8—C9—C4	118.0 (4)
O1i—Co1—N1	89.22 (9)	C8—C9—H9	121.0
O5i—Co1—N1	91.47 (10)	C4—C9—H9	121.0
O5—Co1—N1	88.53 (10)	O4—C10—O3	121.3 (5)
N1i—Co1—N1	180.000 (1)	O4—C10—C5	130.3 (5)
C15—N1—C11	115.3 (3)	O3—C10—C5	108.4 (4)
C15—N1—Co1	121.1 (2)	N1—C11—C12	123.8 (4)
C11—N1—Co1	123.6 (2)	N1—C11—H11	118.1
C1—O1—Co1	128.2 (2)	C12—C11—H11	118.1
C10—O3—C3	110.7 (4)	C13—C12—C11	119.8 (4)
O2—C1—O1	125.1 (3)	C13—C12—H12	120.1
O2—C1—C2	118.2 (4)	C11—C12—H12	120.1
O1—C1—C2	116.7 (3)	C14—C13—C12	116.7 (3)
C3—C2—C1	113.8 (3)	C14—C13—C16	122.0 (4)
C3—C2—H2A	108.8	C12—C13—C16	121.3 (4)
C1—C2—H2A	108.8	C13—C14—C15	120.3 (4)
C3—C2—H2B	108.8	C13—C14—H14	119.9
C1—C2—H2B	108.8	C15—C14—H14	119.9
H2A—C2—H2B	107.7	N1—C15—C14	124.0 (4)
O3—C3—C2	109.7 (4)	N1—C15—H15	118.0
O3—C3—C4	103.6 (3)	C14—C15—H15	118.0
C2—C3—C4	113.4 (4)	C16ii—C16—C13	111.5 (4)
O3—C3—H3	110.0	C16ii—C16—H16A	109.3
C2—C3—H3	110.0	C13—C16—H16A	109.3
C4—C3—H3	110.0	C16ii—C16—H16B	109.3
C9—C4—C5	120.9 (4)	C13—C16—H16B	109.3
C9—C4—C3	131.1 (4)	H16A—C16—H16B	108.0
C5—C4—C3	108.0 (4)	Co1—O5—H5A	138 (3)
C4—C5—C6	119.9 (5)	Co1—O5—H5B	99 (3)
C4—C5—C10	109.0 (4)	H5A—O5—H5B	106 (4)
O1—Co1—N1—C15	99.1 (3)	C3—C4—C5—C10	−3.4 (6)
O1i—Co1—N1—C15	−80.9 (3)	C4—C5—C6—C7	3.1 (9)
O5i—Co1—N1—C15	−171.1 (3)	C10—C5—C6—C7	−177.3 (6)
O5—Co1—N1—C15	8.9 (3)	C5—C6—C7—C8	−0.2 (10)
O1—Co1—N1—C11	−82.1 (3)	C6—C7—C8—C9	−1.4 (10)
O1i—Co1—N1—C11	97.9 (3)	C7—C8—C9—C4	0.0 (8)
O5i—Co1—N1—C11	7.7 (3)	C5—C4—C9—C8	2.9 (8)
O5—Co1—N1—C11	−172.3 (3)	C3—C4—C9—C8	−178.1 (5)
O5i—Co1—O1—C1	161.1 (3)	C3—O3—C10—O4	−176.7 (6)
O5—Co1—O1—C1	−18.9 (3)	C3—O3—C10—C5	2.4 (6)
N1i—Co1—O1—C1	72.6 (3)	C4—C5—C10—O4	179.7 (7)
N1—Co1—O1—C1	−107.4 (3)	C6—C5—C10—O4	0.1 (11)
Co1—O1—C1—O2	16.8 (5)	C4—C5—C10—O3	0.7 (6)
Co1—O1—C1—C2	−163.8 (2)	C6—C5—C10—O3	−178.9 (5)
O2—C1—C2—C3	−48.9 (6)	C15—N1—C11—C12	3.5 (6)
O1—C1—C2—C3	131.7 (4)	Co1—N1—C11—C12	−175.4 (3)
C10—O3—C3—C2	−125.7 (4)	N1—C11—C12—C13	−0.9 (7)
C10—O3—C3—C4	−4.3 (5)	C11—C12—C13—C14	−2.9 (7)
C1—C2—C3—O3	−61.7 (5)	C11—C12—C13—C16	179.3 (4)
C1—C2—C3—C4	−177.1 (4)	C12—C13—C14—C15	3.8 (7)
O3—C3—C4—C9	−174.5 (5)	C16—C13—C14—C15	−178.4 (4)
C2—C3—C4—C9	−55.6 (7)	C11—N1—C15—C14	−2.5 (7)
O3—C3—C4—C5	4.6 (5)	Co1—N1—C15—C14	176.4 (4)
C2—C3—C4—C5	123.5 (5)	C13—C14—C15—N1	−1.2 (8)
C9—C4—C5—C6	−4.5 (8)	C14—C13—C16—C16ii	100.1 (7)
C3—C4—C5—C6	176.3 (5)	C12—C13—C16—C16ii	−82.3 (7)
C9—C4—C5—C10	175.8 (5)

D—H···A	D—H	H···A	D···A	D—H···A
O5—H5B···O2	0.90 (5)	1.72 (5)	2.603 (4)	168 (4)
O5—H5B···O1	0.90 (5)	2.57 (4)	2.981 (3)	109 (3)
O5—H5A···O1iii	0.76 (4)	1.99 (4)	2.752 (3)	172 (4)

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O5—H5B⋯O2	0.90 (5)	1.72 (5)	2.603 (4)	168 (4)
O5—H5B⋯O1	0.90 (5)	2.57 (4)	2.981 (3)	109 (3)
O5—H5A⋯O1i	0.76 (4)	1.99 (4)	2.752 (3)	172 (4)

Symmetry code: (i) .