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In the title dimeric complex, [Cu2(Ac)4(3-PyOH)2] or [Cu2(C2H3O2)4(C5H5NO)2] (Ac is acetate and PyOH is hydroxy­pyridine), each CuII atom exists in a square pyramidal coordination environment, defined by four different acetate O atoms and one 3-hydroxy­pyridine N atom. Two CuII atoms are bridged by four acetate groups, and the center of the dimer corresponds to a crystallographic center of symmetry, the Cu...Cu separation being 2.6598 (8) Å. These dimeric units are linked via O—H...O hydrogen bonds into a two-dimensional layer supramolecular network.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804021993/dn6158sup1.cif
Contains datablocks 1, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804021993/dn6158Isup2.hkl
Contains datablock I

CCDC reference: 252762

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.043
  • wR factor = 0.095
  • Data-to-parameter ratio = 17.1

checkCIF/PLATON results

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Computing details top

Data collection: RAPID-AUTO (Rigaku Corporation, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC & Rigaku Corporation, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPIII (Burnett & Johnson, 1996); software used to prepare material for publication: SHELXL97.

Tetrakis(µ-acetato-κ2O:O')bis[(3-hydroxypyridine-κN)copper] top
Crystal data top
[Cu2(C2H3O2)4(C5H5NO)2]F(000) = 1128
Mr = 553.48Dx = 1.638 Mg m3
Orthorhombic, PbcaMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ac 2abCell parameters from 15896 reflections
a = 13.248 (3) Åθ = 3.0–27.4°
b = 8.5327 (17) ŵ = 1.95 mm1
c = 19.858 (4) ÅT = 293 K
V = 2244.8 (8) Å3Prism, green
Z = 40.38 × 0.25 × 0.17 mm
Data collection top
Rigaku R-AXIS RAPID
diffractometer
2566 independent reflections
Radiation source: fine-focus sealed tube1880 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.068
Detector resolution: 10 pixels mm-1θmax = 27.5°, θmin = 3.0°
ω scanh = 1717
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
k = 1011
Tmin = 0.514, Tmax = 0.718l = 2525
19830 measured reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.043Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.095H atoms treated by a mixture of independent and constrained refinement
S = 1.04 w = 1/[σ2(Fo2) + (0.0484P)2 + 0.9981P]
where P = (Fo2 + 2Fc2)/3
2566 reflections(Δ/σ)max = 0.001
150 parametersΔρmax = 0.45 e Å3
1 restraintΔρmin = 0.27 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cu10.46588 (3)0.57742 (4)0.553482 (17)0.02836 (13)
O10.43930 (17)0.3640 (2)0.59143 (11)0.0364 (5)
O20.50073 (19)0.2382 (3)0.50239 (13)0.0438 (6)
O30.60826 (17)0.5622 (3)0.58185 (12)0.0441 (5)
O40.66597 (16)0.4371 (3)0.49159 (11)0.0443 (6)
O50.17909 (18)0.8760 (4)0.70393 (12)0.0550 (7)
H100.150 (3)0.868 (5)0.6661 (12)0.082*
N10.41258 (18)0.7045 (3)0.64076 (12)0.0304 (5)
C10.4401 (3)0.0869 (4)0.5930 (2)0.0516 (10)
H1A0.36930.06450.58950.077*
H1B0.45890.09230.63960.077*
H1C0.47790.00530.57120.077*
C20.4621 (2)0.2404 (4)0.55967 (17)0.0340 (7)
C30.7839 (3)0.5146 (5)0.5741 (2)0.0577 (10)
H3A0.78280.55750.61880.087*
H3B0.82330.58100.54530.087*
H3C0.81310.41170.57520.087*
C40.6773 (2)0.5045 (4)0.54738 (17)0.0356 (7)
C50.3159 (2)0.7524 (3)0.64454 (15)0.0331 (7)
H50.27370.73320.60800.040*
C60.2763 (2)0.8284 (4)0.69975 (16)0.0364 (7)
C70.3393 (3)0.8580 (5)0.75372 (18)0.0534 (9)
H70.31540.90890.79190.064*
C80.4382 (3)0.8103 (5)0.74950 (19)0.0581 (11)
H80.48220.82950.78500.070*
C90.4720 (3)0.7347 (4)0.69304 (18)0.0436 (8)
H90.53920.70320.69120.052*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.02673 (19)0.02873 (19)0.02960 (19)0.00019 (16)0.00466 (15)0.00100 (16)
O10.0437 (13)0.0298 (10)0.0356 (12)0.0036 (10)0.0095 (10)0.0019 (10)
O20.0596 (14)0.0297 (11)0.0421 (13)0.0017 (11)0.0193 (11)0.0013 (10)
O30.0289 (11)0.0579 (15)0.0455 (12)0.0027 (11)0.0001 (11)0.0075 (12)
O40.0315 (12)0.0571 (14)0.0444 (13)0.0076 (11)0.0020 (10)0.0074 (12)
O50.0375 (14)0.0841 (19)0.0433 (14)0.0201 (13)0.0006 (11)0.0128 (14)
N10.0275 (13)0.0324 (13)0.0314 (13)0.0004 (10)0.0017 (11)0.0009 (11)
C10.065 (2)0.0292 (17)0.060 (2)0.0001 (17)0.0207 (19)0.0096 (17)
C20.0320 (15)0.0295 (15)0.0406 (18)0.0017 (13)0.0019 (14)0.0027 (14)
C30.0276 (18)0.088 (3)0.058 (2)0.0026 (19)0.0021 (16)0.001 (2)
C40.0277 (15)0.0382 (16)0.0410 (17)0.0040 (14)0.0005 (14)0.0034 (15)
C50.0304 (16)0.0387 (16)0.0302 (15)0.0043 (13)0.0013 (13)0.0009 (13)
C60.0331 (17)0.0420 (18)0.0340 (15)0.0043 (15)0.0028 (13)0.0014 (15)
C70.050 (2)0.077 (2)0.0336 (17)0.011 (2)0.0015 (16)0.0175 (19)
C80.047 (2)0.086 (3)0.041 (2)0.012 (2)0.0147 (17)0.018 (2)
C90.0317 (16)0.055 (2)0.0439 (19)0.0088 (16)0.0025 (16)0.0034 (17)
Geometric parameters (Å, º) top
Cu1—Cu1i2.6598 (8)C1—H1A0.9600
Cu1—O4i1.967 (2)C1—H1B0.9600
Cu1—O31.973 (2)C1—H1C0.9600
Cu1—O2i1.976 (2)C3—C41.511 (5)
Cu1—O12.002 (2)C3—H3A0.9600
Cu1—N12.163 (2)C3—H3B0.9600
N1—C91.328 (4)C3—H3C0.9600
N1—C51.346 (4)C5—C61.378 (4)
O1—C21.265 (4)C5—H50.9300
O2—C21.247 (4)C6—C71.381 (5)
O3—C41.244 (4)C7—C81.374 (5)
O4—C41.257 (4)C7—H70.9300
O5—C61.353 (4)C8—C91.369 (5)
O5—H100.85 (3)C8—H80.9300
C1—C21.496 (4)C9—H90.9300
O4i—Cu1—O3167.17 (9)H1B—C1—H1C109.5
O4i—Cu1—O2i89.62 (11)O2—C2—O1124.4 (3)
O3—Cu1—O2i89.92 (11)O2—C2—C1118.0 (3)
O4i—Cu1—O187.58 (10)O1—C2—C1117.5 (3)
O3—Cu1—O190.05 (9)C4—C3—H3A109.5
O2i—Cu1—O1167.23 (9)C4—C3—H3B109.5
O4i—Cu1—N196.10 (9)H3A—C3—H3B109.5
O3—Cu1—N196.68 (9)C4—C3—H3C109.5
O2i—Cu1—N197.12 (9)H3A—C3—H3C109.5
O1—Cu1—N195.56 (9)H3B—C3—H3C109.5
O4i—Cu1—Cu1i84.67 (7)O3—C4—O4125.3 (3)
O3—Cu1—Cu1i82.56 (7)O3—C4—C3118.1 (3)
O2i—Cu1—Cu1i82.59 (7)O4—C4—C3116.6 (3)
O1—Cu1—Cu1i84.75 (6)N1—C5—C6123.3 (3)
N1—Cu1—Cu1i179.18 (7)N1—C5—H5118.3
C2—O1—Cu1121.9 (2)C6—C5—H5118.3
C2—O2—Cu1i126.3 (2)O5—C6—C5123.5 (3)
C4—O3—Cu1124.9 (2)O5—C6—C7118.2 (3)
C4—O4—Cu1i122.4 (2)C5—C6—C7118.3 (3)
C6—O5—H10111 (3)C8—C7—C6118.3 (3)
C9—N1—C5117.5 (3)C8—C7—H7120.9
C9—N1—Cu1122.0 (2)C6—C7—H7120.9
C5—N1—Cu1120.49 (19)C9—C8—C7120.1 (3)
C2—C1—H1A109.5C9—C8—H8119.9
C2—C1—H1B109.5C7—C8—H8119.9
H1A—C1—H1B109.5N1—C9—C8122.5 (3)
C2—C1—H1C109.5N1—C9—H9118.7
H1A—C1—H1C109.5C8—C9—H9118.7
Symmetry code: (i) x+1, y+1, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O5—H10···O1ii0.85 (3)1.90 (3)2.732 (3)168 (5)
Symmetry code: (ii) x+1/2, y+1/2, z.
 

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