metal-organic compounds
[μ-1,2-Bis(4-pyridyl)ethene-κ2N:N′]bis[aqua(pyridine-2,6-dicarboxylato-κ3O2,N,O6)copper(II)] dihydrate
aGeneral Education Center, Yuanpei University, No. 306 Yuanpei St, HsinChu 30015, Taiwan
*Correspondence e-mail: lush@mail.ypu.edu.tw
In the title dinuclear CuII complex, [Cu2(C7H3NO4)2(C12H10N2)(H2O)2]·2H2O, the water-coordinated CuII cation is O,N,O′-chelated by a pyridine-2,6-dicarboxylate (pdc) dianion, and one pyridine N atom from a 1,2-bis(4-pyridyl)ethene ligand coordinates to the CuII cation, completing the CuN2O3 distorted square-pyriamidial geometry. The Cu—Owater bond [2.388 (4) Å] in the axial direction is much longer than the other Cu—O bonds. The 1,2-bis(4-pyridyl)ethene ligand is located across an inversion center with the mid-point of the C=C bond at the inversion center, and bridges two CuII cations, generating a centrosymmetric dinuclear complex. The is stabilized by classical O—H⋯O and weak C—H⋯O hydrogen bonds.
Related literature
For related CuII complexes with pyridine-2,6-dicarboxylate ligands, see: Chaigneau et al. (2004); Dong et al. (2010); Ghosh et al. (2004).
Experimental
Crystal data
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Refinement
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Data collection: SMART (Bruker, 2007); cell SAINT (Bruker, 2007); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL; molecular graphics: PLATON (Spek, 2009); software used to prepare material for publication: PLATON.
Supporting information
10.1107/S1600536811018411/xu5212sup1.cif
contains datablocks global, I. DOI:Structure factors: contains datablock I. DOI: 10.1107/S1600536811018411/xu5212Isup2.hkl
A solution of Cu(NO3)2.6H2O (0.296 g, 1 mmol) in 5 ml H2O was added to pyridine-2,6-dicarboxylic acid (0.167, 1 mmol) and 1,2-bis(4-pyridyl)ethane (0.184 g, 1 mmol) in a Teflon-lined stainless steel autoclave which was heated under autogenous pressure to 453 K for 72 h and then allowed to cool to room temperature. Blue columnar crystals of the title compound were collected in 42.35% yield (based on Cu).
Water H atoms were placed in calculated positions and refined with the distance constrains of O—H = 0.82, and Uiso(H)= 1.5Ueq(O). Other H atoms were positioned geometrically with C—H = 0.93 Å, and refined using a riding model with Uiso(H) = 1.2Ueq(C).
Data collection: SMART (Bruker, 2007); cell
SAINT (Bruker, 2007); data reduction: SAINT (Bruker, 2007); program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL (Sheldrick, 2008); molecular graphics: PLATON (Spek, 2009); software used to prepare material for publication: PLATON (Spek, 2009).Fig. 1. View of the title compound with the atom numbering scheme. Displacement ellipsoids for non-H atoms are drawn at the 50% probability level.[symmetry code: (i) 1 - x, -y, 1 - z]. | |
Fig. 2. The molecular packing for the title compound. Hydrogen bonds are shown as dashed lines. |
[Cu2(C7H3NO4)2(C12H10N2)(H2O)2]·2H2O | Z = 1 |
Mr = 711.59 | F(000) = 362 |
Triclinic, P1 | Dx = 1.774 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 5.2616 (5) Å | Cell parameters from 3226 reflections |
b = 7.9316 (7) Å | θ = 2.5–25.0° |
c = 16.8063 (14) Å | µ = 1.67 mm−1 |
α = 89.183 (2)° | T = 295 K |
β = 84.541 (2)° | Columnar, blue |
γ = 72.557 (2)° | 0.25 × 0.10 × 0.10 mm |
V = 666.01 (10) Å3 |
Bruker SMART 1000 CCD area-detector diffractometer | 2373 independent reflections |
Radiation source: fine-focus sealed tube | 2174 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.036 |
Detector resolution: 9 pixels mm-1 | θmax = 25.1°, θmin = 1.2° |
ϕ and ω scans | h = −6→6 |
Absorption correction: multi-scan (SADABS; Bruker, 2001) | k = −8→9 |
Tmin = 0.921, Tmax = 0.976 | l = −19→19 |
5755 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)] = 0.054 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.126 | H-atom parameters constrained |
S = 1.23 | w = 1/[σ2(Fo2) + (0.0544P)2 + 0.7371P] where P = (Fo2 + 2Fc2)/3 |
2373 reflections | (Δ/σ)max = 0.002 |
200 parameters | Δρmax = 0.57 e Å−3 |
0 restraints | Δρmin = −0.60 e Å−3 |
[Cu2(C7H3NO4)2(C12H10N2)(H2O)2]·2H2O | γ = 72.557 (2)° |
Mr = 711.59 | V = 666.01 (10) Å3 |
Triclinic, P1 | Z = 1 |
a = 5.2616 (5) Å | Mo Kα radiation |
b = 7.9316 (7) Å | µ = 1.67 mm−1 |
c = 16.8063 (14) Å | T = 295 K |
α = 89.183 (2)° | 0.25 × 0.10 × 0.10 mm |
β = 84.541 (2)° |
Bruker SMART 1000 CCD area-detector diffractometer | 2373 independent reflections |
Absorption correction: multi-scan (SADABS; Bruker, 2001) | 2174 reflections with I > 2σ(I) |
Tmin = 0.921, Tmax = 0.976 | Rint = 0.036 |
5755 measured reflections |
R[F2 > 2σ(F2)] = 0.054 | 0 restraints |
wR(F2) = 0.126 | H-atom parameters constrained |
S = 1.23 | Δρmax = 0.57 e Å−3 |
2373 reflections | Δρmin = −0.60 e Å−3 |
200 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 on F2 for ALL reflections except those flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The observed criterion of F2 > σ(F2) is used only for calculating -R-factor-obs 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 | ||
Cu1 | 0.57285 (11) | 0.65304 (7) | 0.73016 (3) | 0.0351 (2) | |
O1 | 0.8836 (7) | 0.4653 (5) | 0.8122 (2) | 0.0583 (14) | |
O2 | 0.2784 (6) | 0.6365 (4) | 0.81661 (17) | 0.0396 (10) | |
O3 | 0.0696 (7) | 0.7621 (5) | 0.9326 (2) | 0.0557 (12) | |
O4 | 0.8504 (7) | 0.7395 (4) | 0.66711 (17) | 0.0435 (11) | |
O5 | 1.0829 (8) | 0.9308 (5) | 0.6771 (2) | 0.0616 (16) | |
N1 | 0.5505 (7) | 0.8520 (4) | 0.7953 (2) | 0.0316 (11) | |
N2 | 0.5692 (7) | 0.4684 (5) | 0.6552 (2) | 0.0343 (11) | |
C1 | 0.7125 (9) | 0.9487 (6) | 0.7732 (2) | 0.0355 (14) | |
C2 | 0.7019 (10) | 1.0950 (6) | 0.8175 (3) | 0.0458 (17) | |
C3 | 0.5179 (11) | 1.1389 (7) | 0.8849 (3) | 0.0520 (17) | |
C4 | 0.3530 (10) | 1.0343 (7) | 0.9072 (3) | 0.0478 (17) | |
C5 | 0.3772 (9) | 0.8890 (6) | 0.8601 (3) | 0.0363 (12) | |
C6 | 0.2256 (9) | 0.7535 (6) | 0.8725 (3) | 0.0394 (14) | |
C7 | 0.8995 (10) | 0.8702 (6) | 0.6991 (3) | 0.0406 (16) | |
C8 | 0.4106 (10) | 0.3645 (6) | 0.6710 (3) | 0.0431 (16) | |
C9 | 0.4046 (10) | 0.2307 (6) | 0.6218 (3) | 0.0409 (16) | |
C10 | 0.5697 (9) | 0.1958 (6) | 0.5501 (2) | 0.0354 (14) | |
C11 | 0.7338 (10) | 0.3030 (7) | 0.5338 (3) | 0.0453 (16) | |
C12 | 0.7297 (10) | 0.4350 (6) | 0.5863 (3) | 0.0434 (16) | |
C13 | 0.5754 (10) | 0.0543 (6) | 0.4941 (3) | 0.0486 (17) | |
O6 | 0.7321 (17) | 0.5326 (10) | 0.9675 (4) | 0.149 (4) | |
H1A | 0.89390 | 0.41550 | 0.85540 | 0.0880* | |
H1B | 0.99980 | 0.51510 | 0.81040 | 0.0880* | |
H2A | 0.81460 | 1.16320 | 0.80290 | 0.0550* | |
H3A | 0.50510 | 1.23890 | 0.91520 | 0.0620* | |
H4A | 0.23090 | 1.06180 | 0.95240 | 0.0570* | |
H8A | 0.29840 | 0.38510 | 0.71840 | 0.0520* | |
H9A | 0.29080 | 0.16300 | 0.63600 | 0.0490* | |
H11A | 0.84750 | 0.28520 | 0.48670 | 0.0540* | |
H12A | 0.84250 | 0.50410 | 0.57390 | 0.0520* | |
H13A | 0.69100 | 0.03930 | 0.44750 | 0.066 (17)* | |
H6A | 0.78230 | 0.61090 | 0.98600 | 0.2230* | |
H6B | 0.81680 | 0.44330 | 0.98950 | 0.2230* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Cu1 | 0.0427 (3) | 0.0384 (3) | 0.0323 (3) | −0.0274 (2) | 0.0089 (2) | −0.0139 (2) |
O1 | 0.052 (2) | 0.048 (2) | 0.082 (3) | −0.0273 (17) | 0.0001 (18) | −0.0071 (18) |
O2 | 0.0426 (18) | 0.0427 (17) | 0.0397 (16) | −0.0255 (14) | 0.0094 (13) | −0.0145 (13) |
O3 | 0.058 (2) | 0.063 (2) | 0.050 (2) | −0.0321 (18) | 0.0239 (17) | −0.0156 (17) |
O4 | 0.056 (2) | 0.0483 (19) | 0.0359 (16) | −0.0341 (16) | 0.0111 (14) | −0.0150 (14) |
O5 | 0.075 (3) | 0.075 (3) | 0.054 (2) | −0.059 (2) | 0.0196 (18) | −0.0117 (18) |
N1 | 0.0359 (19) | 0.0311 (18) | 0.0327 (18) | −0.0186 (16) | 0.0019 (15) | −0.0067 (14) |
N2 | 0.042 (2) | 0.0353 (19) | 0.0320 (18) | −0.0232 (17) | 0.0040 (15) | −0.0094 (15) |
C1 | 0.044 (3) | 0.033 (2) | 0.036 (2) | −0.022 (2) | −0.0013 (19) | −0.0021 (18) |
C2 | 0.057 (3) | 0.039 (3) | 0.051 (3) | −0.028 (2) | −0.008 (2) | −0.003 (2) |
C3 | 0.065 (3) | 0.040 (3) | 0.056 (3) | −0.025 (2) | 0.002 (2) | −0.019 (2) |
C4 | 0.054 (3) | 0.049 (3) | 0.041 (3) | −0.018 (2) | 0.004 (2) | −0.018 (2) |
C5 | 0.039 (2) | 0.037 (2) | 0.037 (2) | −0.0180 (19) | −0.0002 (18) | −0.0092 (18) |
C6 | 0.038 (2) | 0.044 (3) | 0.041 (2) | −0.022 (2) | 0.0053 (19) | −0.008 (2) |
C7 | 0.052 (3) | 0.045 (3) | 0.034 (2) | −0.031 (2) | 0.004 (2) | −0.0013 (19) |
C8 | 0.050 (3) | 0.047 (3) | 0.037 (2) | −0.026 (2) | 0.012 (2) | −0.015 (2) |
C9 | 0.050 (3) | 0.041 (3) | 0.041 (2) | −0.031 (2) | 0.008 (2) | −0.0117 (19) |
C10 | 0.043 (3) | 0.036 (2) | 0.031 (2) | −0.018 (2) | −0.0008 (18) | −0.0051 (18) |
C11 | 0.053 (3) | 0.051 (3) | 0.038 (2) | −0.030 (2) | 0.015 (2) | −0.015 (2) |
C12 | 0.052 (3) | 0.047 (3) | 0.040 (2) | −0.031 (2) | 0.007 (2) | −0.011 (2) |
C13 | 0.063 (3) | 0.049 (3) | 0.041 (3) | −0.033 (2) | 0.015 (2) | −0.020 (2) |
O6 | 0.195 (7) | 0.159 (7) | 0.095 (4) | −0.063 (6) | 0.008 (5) | −0.015 (4) |
Cu1—O1 | 2.388 (4) | C2—C3 | 1.394 (7) |
Cu1—O2 | 2.053 (3) | C3—C4 | 1.394 (8) |
Cu1—O4 | 2.003 (4) | C4—C5 | 1.375 (7) |
Cu1—N1 | 1.902 (3) | C5—C6 | 1.520 (7) |
Cu1—N2 | 1.951 (4) | C8—C9 | 1.364 (7) |
O2—C6 | 1.281 (6) | C9—C10 | 1.396 (6) |
O3—C6 | 1.229 (6) | C10—C11 | 1.390 (7) |
O4—C7 | 1.278 (6) | C10—C13 | 1.467 (6) |
O5—C7 | 1.226 (7) | C11—C12 | 1.373 (7) |
O1—H1A | 0.8200 | C13—C13i | 1.336 (7) |
O1—H1B | 0.8200 | C2—H2A | 0.9300 |
O6—H6A | 0.8200 | C3—H3A | 0.9300 |
O6—H6B | 0.8200 | C4—H4A | 0.9300 |
N1—C1 | 1.333 (6) | C8—H8A | 0.9300 |
N1—C5 | 1.328 (6) | C9—H9A | 0.9300 |
N2—C12 | 1.346 (6) | C11—H11A | 0.9300 |
N2—C8 | 1.345 (6) | C12—H12A | 0.9300 |
C1—C2 | 1.372 (6) | C13—H13A | 0.9300 |
C1—C7 | 1.526 (6) | ||
O1—Cu1—O2 | 86.70 (12) | O3—C6—C5 | 119.9 (4) |
O1—Cu1—O4 | 94.17 (13) | O2—C6—O3 | 125.8 (4) |
O1—Cu1—N1 | 90.56 (14) | O2—C6—C5 | 114.3 (4) |
O1—Cu1—N2 | 96.13 (14) | O4—C7—C1 | 114.4 (4) |
O2—Cu1—O4 | 161.23 (12) | O5—C7—C1 | 119.4 (4) |
O2—Cu1—N1 | 79.81 (14) | O4—C7—O5 | 126.1 (5) |
O2—Cu1—N2 | 101.12 (14) | N2—C8—C9 | 124.0 (5) |
O4—Cu1—N1 | 81.43 (14) | C8—C9—C10 | 119.8 (5) |
O4—Cu1—N2 | 97.44 (14) | C11—C10—C13 | 120.6 (4) |
N1—Cu1—N2 | 173.29 (15) | C9—C10—C11 | 116.3 (4) |
Cu1—O2—C6 | 114.6 (3) | C9—C10—C13 | 123.1 (4) |
Cu1—O4—C7 | 114.6 (3) | C10—C11—C12 | 120.7 (5) |
H1A—O1—H1B | 104.00 | N2—C12—C11 | 122.7 (5) |
Cu1—O1—H1B | 101.00 | C10—C13—C13i | 124.0 (5) |
Cu1—O1—H1A | 143.00 | C1—C2—H2A | 121.00 |
H6A—O6—H6B | 104.00 | C3—C2—H2A | 121.00 |
C1—N1—C5 | 122.9 (4) | C4—C3—H3A | 120.00 |
Cu1—N1—C5 | 119.5 (3) | C2—C3—H3A | 120.00 |
Cu1—N1—C1 | 117.7 (3) | C3—C4—H4A | 121.00 |
Cu1—N2—C12 | 122.0 (3) | C5—C4—H4A | 121.00 |
C8—N2—C12 | 116.6 (4) | C9—C8—H8A | 118.00 |
Cu1—N2—C8 | 121.4 (3) | N2—C8—H8A | 118.00 |
N1—C1—C2 | 120.0 (4) | C8—C9—H9A | 120.00 |
N1—C1—C7 | 111.5 (4) | C10—C9—H9A | 120.00 |
C2—C1—C7 | 128.5 (4) | C12—C11—H11A | 120.00 |
C1—C2—C3 | 118.3 (5) | C10—C11—H11A | 120.00 |
C2—C3—C4 | 120.5 (5) | N2—C12—H12A | 119.00 |
C3—C4—C5 | 117.7 (5) | C11—C12—H12A | 119.00 |
N1—C5—C4 | 120.6 (4) | C10—C13—H13A | 118.00 |
N1—C5—C6 | 111.7 (4) | C13i—C13—H13A | 118.00 |
C4—C5—C6 | 127.7 (5) | ||
O1—Cu1—O2—C6 | 88.5 (3) | C1—N1—C5—C6 | −178.0 (4) |
N1—Cu1—O2—C6 | −2.7 (3) | Cu1—N2—C8—C9 | −178.3 (4) |
N2—Cu1—O2—C6 | −175.9 (3) | C12—N2—C8—C9 | −0.1 (7) |
O1—Cu1—O4—C7 | −85.2 (3) | Cu1—N2—C12—C11 | 178.5 (4) |
N1—Cu1—O4—C7 | 4.7 (3) | C8—N2—C12—C11 | 0.3 (7) |
N2—Cu1—O4—C7 | 178.1 (3) | N1—C1—C2—C3 | −0.4 (7) |
O1—Cu1—N1—C1 | 93.5 (3) | C7—C1—C2—C3 | −178.0 (5) |
O1—Cu1—N1—C5 | −86.4 (3) | N1—C1—C7—O4 | 6.8 (6) |
O2—Cu1—N1—C1 | −179.9 (3) | N1—C1—C7—O5 | −171.0 (4) |
O2—Cu1—N1—C5 | 0.1 (3) | C2—C1—C7—O4 | −175.4 (5) |
O4—Cu1—N1—C1 | −0.6 (3) | C2—C1—C7—O5 | 6.8 (8) |
O4—Cu1—N1—C5 | 179.5 (4) | C1—C2—C3—C4 | 1.2 (8) |
O1—Cu1—N2—C8 | 84.0 (4) | C2—C3—C4—C5 | −0.7 (8) |
O1—Cu1—N2—C12 | −94.2 (4) | C3—C4—C5—N1 | −0.7 (7) |
O2—Cu1—N2—C8 | −3.9 (4) | C3—C4—C5—C6 | 178.7 (5) |
O2—Cu1—N2—C12 | 178.0 (4) | N1—C5—C6—O2 | −4.2 (6) |
O4—Cu1—N2—C8 | 179.0 (4) | N1—C5—C6—O3 | 175.4 (4) |
O4—Cu1—N2—C12 | 0.9 (4) | C4—C5—C6—O2 | 176.4 (5) |
Cu1—O2—C6—O3 | −175.2 (4) | C4—C5—C6—O3 | −4.0 (8) |
Cu1—O2—C6—C5 | 4.3 (5) | N2—C8—C9—C10 | −0.2 (8) |
Cu1—O4—C7—O5 | 170.2 (4) | C8—C9—C10—C11 | 0.2 (7) |
Cu1—O4—C7—C1 | −7.4 (5) | C8—C9—C10—C13 | 179.9 (5) |
Cu1—N1—C1—C2 | 179.1 (3) | C9—C10—C11—C12 | 0.0 (7) |
Cu1—N1—C1—C7 | −2.9 (5) | C13—C10—C11—C12 | −179.7 (5) |
C5—N1—C1—C2 | −0.9 (7) | C9—C10—C13—C13i | 0.0 (8) |
C5—N1—C1—C7 | 177.1 (4) | C11—C10—C13—C13i | 179.7 (5) |
Cu1—N1—C5—C4 | −178.6 (4) | C10—C11—C12—N2 | −0.2 (8) |
Cu1—N1—C5—C6 | 2.0 (5) | C10—C13—C13i—C10i | 180.0 (4) |
C1—N1—C5—C4 | 1.5 (7) |
Symmetry code: (i) −x+1, −y, −z+1. |
D—H···A | D—H | H···A | D···A | D—H···A |
O1—H1A···O6 | 0.82 | 2.10 | 2.669 (8) | 126 |
O1—H1B···O2ii | 0.82 | 1.99 | 2.809 (5) | 175 |
O6—H6A···O3ii | 0.82 | 2.31 | 2.919 (9) | 132 |
O6—H6B···O3iii | 0.82 | 2.06 | 2.851 (8) | 163 |
C2—H2A···O1iv | 0.93 | 2.54 | 3.348 (6) | 146 |
C4—H4A···O3v | 0.93 | 2.52 | 3.411 (6) | 160 |
C8—H8A···O1vi | 0.93 | 2.49 | 3.381 (6) | 161 |
C9—H9A···O5vii | 0.93 | 2.47 | 3.382 (6) | 167 |
C13—H13A···O5viii | 0.93 | 2.35 | 3.265 (6) | 166 |
Symmetry codes: (ii) x+1, y, z; (iii) −x+1, −y+1, −z+2; (iv) x, y+1, z; (v) −x, −y+2, −z+2; (vi) x−1, y, z; (vii) x−1, y−1, z; (viii) −x+2, −y+1, −z+1. |
Experimental details
Crystal data | |
Chemical formula | [Cu2(C7H3NO4)2(C12H10N2)(H2O)2]·2H2O |
Mr | 711.59 |
Crystal system, space group | Triclinic, P1 |
Temperature (K) | 295 |
a, b, c (Å) | 5.2616 (5), 7.9316 (7), 16.8063 (14) |
α, β, γ (°) | 89.183 (2), 84.541 (2), 72.557 (2) |
V (Å3) | 666.01 (10) |
Z | 1 |
Radiation type | Mo Kα |
µ (mm−1) | 1.67 |
Crystal size (mm) | 0.25 × 0.10 × 0.10 |
Data collection | |
Diffractometer | Bruker SMART 1000 CCD area-detector diffractometer |
Absorption correction | Multi-scan (SADABS; Bruker, 2001) |
Tmin, Tmax | 0.921, 0.976 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 5755, 2373, 2174 |
Rint | 0.036 |
(sin θ/λ)max (Å−1) | 0.597 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.054, 0.126, 1.23 |
No. of reflections | 2373 |
No. of parameters | 200 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.57, −0.60 |
Computer programs: SMART (Bruker, 2007), SAINT (Bruker, 2007), SHELXTL (Sheldrick, 2008), PLATON (Spek, 2009).
Cu1—O1 | 2.388 (4) | Cu1—N1 | 1.902 (3) |
Cu1—O2 | 2.053 (3) | Cu1—N2 | 1.951 (4) |
Cu1—O4 | 2.003 (4) |
D—H···A | D—H | H···A | D···A | D—H···A |
O1—H1A···O6 | 0.82 | 2.10 | 2.669 (8) | 126 |
O1—H1B···O2i | 0.82 | 1.99 | 2.809 (5) | 175 |
O6—H6A···O3i | 0.82 | 2.31 | 2.919 (9) | 132 |
O6—H6B···O3ii | 0.82 | 2.06 | 2.851 (8) | 163 |
C2—H2A···O1iii | 0.93 | 2.54 | 3.348 (6) | 146 |
C4—H4A···O3iv | 0.93 | 2.52 | 3.411 (6) | 160 |
C8—H8A···O1v | 0.93 | 2.49 | 3.381 (6) | 161 |
C9—H9A···O5vi | 0.93 | 2.47 | 3.382 (6) | 167 |
C13—H13A···O5vii | 0.93 | 2.35 | 3.265 (6) | 166 |
Symmetry codes: (i) x+1, y, z; (ii) −x+1, −y+1, −z+2; (iii) x, y+1, z; (iv) −x, −y+2, −z+2; (v) x−1, y, z; (vi) x−1, y−1, z; (vii) −x+2, −y+1, −z+1. |
Acknowledgements
This work was supported financially by Yuanpei University, Taiwan.
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The pyridine-2,6-dicarboxylic acid (pdcH2) has important coordination functions to transition metals by either carboxylate bridges between metal centers, to form dimeric complexes or tridentate (O, N, O') chelation to one metal ion. Some CuII pdc complexes have been reported (Chaigneau et al., 2004; Ghosh et al., 2004; Dong et al., 2010).
In the title compound, [Cu2(C12H10N2)(C7H3NO4)2(H2O)2].2(H2O)], the CuII atom is coordinated by two oxygen atoms and one nitrogen atom of one pyridine-2,6-dicarboxylate (pdc) ligand, one pyrinyl N atom of the 1,2-bis(4-pyridyl)ethene ligand. The distorted square-pyriamidial geometry is completed by a longer axial bond to the O atom of a water molecule [Cu—O 2.390 (43) Å in the axial direction]. The Cu1—N2—N2i—Cu1i torsion angle is 180.0 (13)°, assemblies exhibiting M—anti-1,2-bis(4-pyridyl)ethene—M bridges. Two CuII atoms are bridged by one trans-1,2-bis(4-pyridyl)ethene ligand, generating a dinuclear molecule.The dinuclear molecule is located on a centre of inversion, which is in the middle of the ethylyne fragment of the bpe ligand.
The molecular structure and packing are stabilized by strong O—H···O and weak C—H···O hydrogen bonds, also including a crystal water molecule.