Tetra-μ-acetato-bis-[(pyridine N-oxide)copper(II)](Cu-Cu).

The mol-ecule of the title binuclear copper(II) complex, [Cu(2)(CH(3)COO)(4)(C(5)H(5)NO)(2)], occupies a special position on a crystallographic inversion centre; the coordination environment of the Cu(II) atom is slightly distorted square-pyramidal and is made up of four O atoms belonging to four acetate groups in the basal plane with the O atom of pyridine N-oxide ligand in the apical position. The Cu-Cu distance is 2.6376 (6) Å.

Related literature

For the biological activity of binuclear copper(II) compounds, see: Li et al. (2007 ▶). For a related structure, see: Zhang (2009 ▶).

Experimental

Crystal data

[Cu2(C2H3O2)4(C5H5NO)2]

M = 553.46

Monoclinic,

a = 9.6737 (11) Å

b = 13.5886 (16) Å

c = 8.5236 (10) Å

β = 99.970 (2)°

V = 1103.5 (2) Å3

Z = 2

Mo Kα radiation

μ = 1.98 mm−1

T = 296 K

0.2 × 0.2 × 0.2 mm

Data collection

Bruker SMART CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 1998 ▶) T min = 0.673, T max = 0.680

5445 measured reflections

1936 independent reflections

1713 reflections with I > 2σ(I)

R int = 0.015

Refinement

R[F 2 > 2σ(F 2)] = 0.025

wR(F 2) = 0.070

S = 1.07

1936 reflections

145 parameters

H-atom parameters constrained

Δρmax = 0.43 e Å−3

Δρmin = −0.33 e Å−3

Data collection: SMART (Bruker, 1998 ▶); cell refinement: SAINT (Bruker, 1998 ▶); 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.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809024222/ya2100sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809024222/ya2100Isup2.hkl

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

[Cu2(C2H3O2)4(C5H5NO)2]	F(000) = 564
Mr = 553.46	Dx = 1.666 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 3911 reflections
a = 9.6737 (11) Å	θ = 2.6–27.9°
b = 13.5886 (16) Å	µ = 1.98 mm−1
c = 8.5236 (10) Å	T = 296 K
β = 99.970 (2)°	Block, blue
V = 1103.5 (2) Å3	0.2 × 0.2 × 0.2 mm
Z = 2

Bruker SMART CCD area-detector diffractometer	1936 independent reflections
Radiation source: fine-focus sealed tube	1713 reflections with I > 2σ(I)
graphite	Rint = 0.015
φ and ω scans	θmax = 25.0°, θmin = 2.1°
Absorption correction: multi-scan (SADABS; Bruker, 1998)	h = −10→11
Tmin = 0.673, Tmax = 0.680	k = −16→9
5445 measured reflections	l = −10→9

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)] = 0.025	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.070	H-atom parameters constrained
S = 1.07	w = 1/[σ2(Fo2) + (0.0352P)2 + 0.7718P] where P = (Fo2 + 2Fc2)/3
1936 reflections	(Δ/σ)max = 0.001
145 parameters	Δρmax = 0.43 e Å−3
0 restraints	Δρmin = −0.33 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
O3	0.55087 (19)	−0.15687 (13)	−0.0542 (2)	0.0457 (5)
O4	0.69513 (18)	−0.02840 (14)	0.1692 (2)	0.0411 (4)
Cu1	0.38549 (3)	0.01927 (2)	0.05882 (3)	0.02846 (12)
O5	0.50246 (19)	0.00354 (14)	0.2694 (2)	0.0424 (4)
O2	0.35940 (18)	−0.12383 (13)	0.0480 (2)	0.0408 (4)
N1	0.11758 (19)	0.11134 (15)	0.1808 (2)	0.0330 (4)
C8	0.6302 (3)	−0.01859 (17)	0.2828 (3)	0.0335 (5)
O1	0.18110 (19)	0.03795 (15)	0.1215 (3)	0.0520 (5)
C6	0.4409 (3)	−0.18155 (18)	−0.0051 (3)	0.0349 (5)
C1	0.1856 (3)	0.1945 (2)	0.2326 (3)	0.0409 (6)
H1A	0.2801	0.2014	0.2261	0.049*
C5	−0.0186 (2)	0.1004 (2)	0.1894 (3)	0.0406 (6)
H5A	−0.0653	0.0428	0.1529	0.049*
C9	0.7115 (3)	−0.0358 (2)	0.4475 (3)	0.0506 (7)
H9A	0.8070	−0.0518	0.4408	0.076*
H9B	0.6700	−0.0892	0.4966	0.076*
H9C	0.7096	0.0228	0.5102	0.076*
C2	0.1170 (3)	0.2692 (2)	0.2948 (3)	0.0499 (7)
H2A	0.1650	0.3265	0.3302	0.060*
C4	−0.0892 (3)	0.1741 (2)	0.2519 (4)	0.0509 (7)
H4A	−0.1835	0.1658	0.2581	0.061*
C3	−0.0225 (3)	0.2599 (2)	0.3054 (4)	0.0545 (8)
H3A	−0.0702	0.3102	0.3474	0.065*
C7	0.4047 (3)	−0.2887 (2)	−0.0104 (4)	0.0530 (7)
H7A	0.3190	−0.2983	0.0300	0.080*
H7B	0.4789	−0.3249	0.0539	0.080*
H7C	0.3930	−0.3117	−0.1184	0.080*

	U11	U22	U33	U12	U13	U23
O3	0.0419 (10)	0.0288 (9)	0.0715 (13)	−0.0013 (8)	0.0238 (9)	−0.0027 (9)
O4	0.0337 (9)	0.0532 (12)	0.0363 (9)	0.0075 (8)	0.0062 (7)	0.0057 (8)
Cu1	0.02487 (17)	0.02651 (18)	0.03512 (19)	0.00156 (11)	0.00833 (12)	0.00071 (11)
O5	0.0362 (10)	0.0558 (12)	0.0356 (9)	0.0061 (8)	0.0071 (7)	−0.0015 (8)
O2	0.0409 (10)	0.0286 (9)	0.0557 (11)	−0.0019 (7)	0.0158 (8)	0.0008 (8)
N1	0.0279 (10)	0.0374 (11)	0.0350 (10)	−0.0006 (9)	0.0088 (8)	−0.0034 (9)
C8	0.0374 (13)	0.0264 (12)	0.0364 (13)	−0.0007 (10)	0.0055 (10)	0.0015 (10)
O1	0.0339 (10)	0.0484 (12)	0.0788 (14)	−0.0019 (8)	0.0237 (9)	−0.0203 (10)
C6	0.0356 (13)	0.0277 (12)	0.0402 (13)	−0.0017 (10)	0.0034 (10)	0.0044 (10)
C1	0.0319 (13)	0.0444 (15)	0.0470 (15)	−0.0119 (11)	0.0089 (11)	−0.0035 (12)
C5	0.0275 (12)	0.0444 (15)	0.0512 (15)	−0.0077 (11)	0.0106 (11)	−0.0127 (12)
C9	0.0508 (16)	0.0627 (19)	0.0368 (15)	0.0086 (14)	0.0031 (12)	0.0055 (13)
C2	0.0540 (17)	0.0408 (15)	0.0554 (18)	−0.0122 (13)	0.0108 (13)	−0.0108 (13)
C4	0.0308 (14)	0.0589 (18)	0.0654 (18)	−0.0008 (12)	0.0146 (12)	−0.0178 (15)
C3	0.0526 (17)	0.0506 (18)	0.0626 (19)	0.0068 (14)	0.0162 (14)	−0.0180 (15)
C7	0.0568 (18)	0.0282 (14)	0.077 (2)	−0.0029 (12)	0.0187 (15)	0.0036 (14)

O3—C6	1.254 (3)	C1—C2	1.369 (4)
O4—C8	1.250 (3)	C1—H1A	0.9300
Cu1—O5	1.9605 (18)	C5—C4	1.370 (4)
Cu1—O2	1.9610 (18)	C5—H5A	0.9300
Cu1—O4i	1.9685 (17)	C9—H9A	0.9600
Cu1—O3i	1.9710 (18)	C9—H9B	0.9600
Cu1—O1	2.1507 (18)	C9—H9C	0.9600
Cu1—Cu1i	2.6376 (6)	C2—C3	1.373 (4)
O5—C8	1.257 (3)	C2—H2A	0.9300
O2—C6	1.251 (3)	C4—C3	1.372 (4)
N1—O1	1.317 (3)	C4—H4A	0.9300
N1—C5	1.340 (3)	C3—H3A	0.9300
N1—C1	1.344 (3)	C7—H7A	0.9600
C8—C9	1.504 (3)	C7—H7B	0.9600
C6—C7	1.496 (3)	C7—H7C	0.9600
C6—O3—Cu1i	123.11 (16)	O3—C6—C7	117.3 (2)
C8—O4—Cu1i	126.30 (16)	N1—C1—C2	120.5 (2)
O5—Cu1—O2	89.09 (8)	N1—C1—H1A	119.7
O5—Cu1—O4i	167.89 (7)	C2—C1—H1A	119.7
O2—Cu1—O4i	89.45 (8)	N1—C5—C4	120.1 (2)
O5—Cu1—O3i	89.38 (8)	N1—C5—H5A	120.0
O2—Cu1—O3i	167.91 (7)	C4—C5—H5A	120.0
O4i—Cu1—O3i	89.55 (8)	C8—C9—H9A	109.5
O5—Cu1—O1	101.25 (8)	C8—C9—H9B	109.5
O2—Cu1—O1	90.70 (7)	H9A—C9—H9B	109.5
O4i—Cu1—O1	90.79 (8)	C8—C9—H9C	109.5
O3i—Cu1—O1	101.35 (7)	H9A—C9—H9C	109.5
O5—Cu1—Cu1i	86.37 (6)	H9B—C9—H9C	109.5
O2—Cu1—Cu1i	83.97 (5)	C1—C2—C3	120.3 (3)
O4i—Cu1—Cu1i	81.52 (5)	C1—C2—H2A	119.8
O3i—Cu1—Cu1i	83.97 (5)	C3—C2—H2A	119.8
O1—Cu1—Cu1i	170.66 (6)	C5—C4—C3	120.9 (3)
C8—O5—Cu1	120.79 (16)	C5—C4—H4A	119.6
C6—O2—Cu1	123.67 (16)	C3—C4—H4A	119.6
O1—N1—C5	117.7 (2)	C4—C3—C2	117.8 (3)
O1—N1—C1	121.9 (2)	C4—C3—H3A	121.1
C5—N1—C1	120.3 (2)	C2—C3—H3A	121.1
O4—C8—O5	124.9 (2)	C6—C7—H7A	109.5
O4—C8—C9	117.0 (2)	C6—C7—H7B	109.5
O5—C8—C9	118.0 (2)	H7A—C7—H7B	109.5
N1—O1—Cu1	134.01 (15)	C6—C7—H7C	109.5
O2—C6—O3	125.2 (2)	H7A—C7—H7C	109.5
O2—C6—C7	117.5 (2)	H7B—C7—H7C	109.5
O2—Cu1—O5—C8	82.77 (19)	O5—Cu1—O1—N1	76.0 (2)
O4i—Cu1—O5—C8	−0.3 (5)	O2—Cu1—O1—N1	165.2 (2)
O3i—Cu1—O5—C8	−85.24 (19)	O4i—Cu1—O1—N1	−105.3 (2)
O1—Cu1—O5—C8	173.30 (19)	O3i—Cu1—O1—N1	−15.6 (3)
Cu1i—Cu1—O5—C8	−1.25 (18)	Cu1—O2—C6—O3	1.9 (4)
O5—Cu1—O2—C6	−88.0 (2)	Cu1—O2—C6—C7	−178.14 (19)
O4i—Cu1—O2—C6	79.9 (2)	Cu1i—O3—C6—O2	−0.8 (4)
O3i—Cu1—O2—C6	−5.3 (5)	Cu1i—O3—C6—C7	179.25 (19)
O1—Cu1—O2—C6	170.7 (2)	O1—N1—C1—C2	−179.5 (2)
Cu1i—Cu1—O2—C6	−1.59 (19)	C5—N1—C1—C2	0.0 (4)
Cu1i—O4—C8—O5	−3.5 (4)	O1—N1—C5—C4	179.2 (3)
Cu1i—O4—C8—C9	175.76 (18)	C1—N1—C5—C4	−0.3 (4)
Cu1—O5—C8—O4	3.1 (3)	N1—C1—C2—C3	0.1 (4)
Cu1—O5—C8—C9	−176.22 (18)	N1—C5—C4—C3	0.5 (5)
C5—N1—O1—Cu1	172.94 (19)	C5—C4—C3—C2	−0.3 (5)
C1—N1—O1—Cu1	−7.5 (4)	C1—C2—C3—C4	0.0 (5)