metal-organic compounds
catena-Poly[[diaquabis[2-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetato-κO]cobalt(II)]-μ-1,2-bis(pyridin-4-yl)ethane-κ2N:N′]
aSchool of Chemistry and Biological Engineering, University of Science and Technology Beijing, Beijing 100083, People's Republic of China
*Correspondence e-mail: cysun@ustb.edu.cn
In the title complex, [Co(C10H7O4)2(C12H12N2)(H2O)2]n, the CoII ion is located on a crystallographic centre of symmetry and is six-coordinated by two N atoms from two 1,2-bis(4-pyridyl)ethane ligands, two carboxylate O atoms from two 1,3-dihydro-3-oxo-1-isobenzofuranacetate ligands and two terminal water ligands. The 1,2-bis(4-pyridyl)ethane ligands act as bidentate ligands, and bridge the CoII ions into infinite chains extending parallel to [010]. In these chains, there are intra-molecular O—H⋯O hydrogen bonding between the coordination water molecules and carboxylate groups. Inter-molecular O—H⋯O hydrogen bonding between the adjacent chains and π⋯π stacking interactions result in the formation of a three-dimensional supramolecular network.
Related literature
For in situ ligand reactions, see: Zhang et al. (2005); Chen et al. (2007); Zhao et al. (2008).
Experimental
Crystal data
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Refinement
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Data collection: SMART (Bruker, 1997); cell 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.
Supporting information
10.1107/S1600536812044339/hg5263sup1.cif
contains datablocks global, I. DOI:Supporting information file. DOI: 10.1107/S1600536812044339/hg5263Isup2.cdx
Structure factors: contains datablock I. DOI: 10.1107/S1600536812044339/hg5263Isup3.hkl
A mixture of o-carboxycinnamic acid (0.02 g, 0.1 mmol), CoCl2.6H2O (0.024 g, 0.1 mmol), 1,2-bis(4-pyridyl)ethane (0.018 g, 0.1 mmol), and deionized water(5 ml) was sealed in a Teflon-lined stainless vessel(25 ml), and heated at 120 °C for 72 h, then cooled slowly to room temperature. There was no solid obtained. The filtration was left to stand in air. After two weeks, red block single crystals were obtained. Yield: 0.015 g (22.7%).
The water H atoms were located in the Fourier difference map and refined with isotropic coordinates. The carbon H atoms were included in the
in the riding model approximation, with C–H bond distance 0.93–0.98 Å and U(H)set to 1.2Ueq(C).Data collection: SMART (Bruker, 1997); cell
SAINT (Bruker, 1997); data reduction: SAINT (Bruker, 1997); 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 (Sheldrick, 2008).[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 |
[Co(C10H7O4)2(C12H12N2)(H2O)2] | γ = 97.651 (4)° |
Mr = 661.51 | V = 750.9 (3) Å3 |
Triclinic, P1 | Z = 1 |
a = 5.4599 (12) Å | Mo Kα radiation |
b = 10.374 (2) Å | µ = 0.63 mm−1 |
c = 13.617 (3) Å | T = 293 K |
α = 93.912 (4)° | 0.20 × 0.18 × 0.10 mm |
β = 99.409 (4)° |
Bruker SMART CCD area-detector diffractometer | 3027 independent reflections |
Absorption correction: multi-scan (SADABS; Bruker, 1997) | 2306 reflections with I > 2σ(I) |
Tmin = 0.749, Tmax = 1.000 | Rint = 0.026 |
4258 measured reflections |
R[F2 > 2σ(F2)] = 0.055 | 0 restraints |
wR(F2) = 0.133 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.05 | Δρmax = 0.73 e Å−3 |
3027 reflections | Δρmin = −0.61 e Å−3 |
213 parameters |
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) |
Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) −x+1, −y+1, −z. |
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) |
Symmetry code: (iii) x−1, y, z. |
Experimental details
Crystal data | |
Chemical formula | [Co(C10H7O4)2(C12H12N2)(H2O)2] |
Mr | 661.51 |
Crystal system, space group | Triclinic, P1 |
Temperature (K) | 293 |
a, b, c (Å) | 5.4599 (12), 10.374 (2), 13.617 (3) |
α, β, γ (°) | 93.912 (4), 99.409 (4), 97.651 (4) |
V (Å3) | 750.9 (3) |
Z | 1 |
Radiation type | Mo Kα |
µ (mm−1) | 0.63 |
Crystal size (mm) | 0.20 × 0.18 × 0.10 |
Data collection | |
Diffractometer | Bruker SMART CCD area-detector diffractometer |
Absorption correction | Multi-scan (SADABS; Bruker, 1997) |
Tmin, Tmax | 0.749, 1.000 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 4258, 3027, 2306 |
Rint | 0.026 |
(sin θ/λ)max (Å−1) | 0.626 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.055, 0.133, 1.05 |
No. of reflections | 3027 |
No. of parameters | 213 |
H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
Δρmax, Δρmin (e Å−3) | 0.73, −0.61 |
Computer programs: SMART (Bruker, 1997), SAINT (Bruker, 1997), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).
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) x−1, y, z. |
Acknowledgements
This work was supported by National Nature Science Foundation of China (No. 21101013) and Fundamental Research Funds for the Central Universities (No. FRF-BR-10–002 A).
References
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In situ ligand reactions have been extensively used to construct new organic ligands and coordination polymers, with novel structures and potential applications, especially those that could not be obtained in direct preparation from the ligands. Furthermore, they are helpful to study reaction mechanism (Zhang et al., 2005; Chen et al., 2007; Zhao et al., 2008). Herein we report the synthesis and structure of the title complex from in situ hydroxylation and esterification of ethylene group. In the title complex (Fig. 1), each CoII ion is located on a crystallographic centre of symmetry and coordinated to four oxygen atoms and two nitrogen atoms, and the coordination geometry can be described as a distorted octahedron. 1,3-Dihydro-3-oxo-1 -isobenzofuranacetate ligand adopts a monodentate mode, coordinating to CoII ion with a carboxylate oxygen atom. While 1,2-bis(4-pyridyl)ethane ligands bridge CoII ions into one-dimensional infinite chains. In these chains, intra-molecular O—H···O hydrogen bonding are observed between the carboxylate oxygen atoms and the coordination water molecules (O(2)···O(5) 2.603 (4) Å and O(1)···O(5) 2.981 (3) Å). Between the adjacent chains, there are inter-molecular O—H···O hydrogen bonding (O(1)···O(5) 2.752 (3) Å), which connects the chains into a three-dimensional supramolecular network (Table 1 and Fig. 2). 1,3-Dihydro-3-oxo-1-isobenzofuranacetate ligands are parallel and the face-to-face distance is 3.88 Å, indicating the existence of the weak π···π stacking interactions, which brings further stability for the structure.