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The title complex, [Cu2(C2H3O2)4(C7H6N2)2], shows a binuclear cage structure having an inversion centre. There are intramolecular N-H...O hydrogen bonds between the 7-aza­indole ligands and the bridging acetate O atoms.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270100005540/qa0273sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270100005540/qa0273Isup2.hkl
Contains datablock I

CCDC reference: 145637

Comment top

The structure of the mixed-bridged binuclear copper(II) complex [Cu2(CH3COO)2(az)2(Haz)2] (Haz is 7-azaindole) was reported by Peng & Lai (1988). The structure of [Cu2(CH3COO)4(Haz)2], (I), is reported here.

Experimental top

1-Propanol (10 ml) solutions of copper(II) acetate monohydrate (0.5 mmol) and 7-azaindole (1 mmol) were mixed and filtered. From the light blue–green filtrate, crystals of the title compound, [Cu2(CH3COO)4(Haz)2], were obtained.

Refinement top

The positional parameters of all the H atoms were calculated geometrically and fixed with U(H) = 1.2Ueq(parent atom).

Computing details top

Data collection: MSC/AFC Diffractometer Control Software (Molecular Structure Corporation, 1993); cell refinement: MSC/AFC Diffractometer Control Software; data reduction: TEXSAN (Molecular Structure Corporation, 1999); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: TEXSAN; software used to prepare material for publication: TEXSAN.

(I) top
Crystal data top
[Cu2(C2H3O2)4(C7H6N2)2]Dx = 1.642 Mg m3
Mr = 599.55Mo Kα radiation, λ = 0.71073 Å
Monoclinic, P21/aCell parameters from 25 reflections
a = 7.453 (5) Åθ = 10–15°
b = 14.911 (5) ŵ = 1.81 mm1
c = 11.458 (5) ÅT = 298 K
β = 107.75 (4)°Prism, green
V = 1212.7 (10) Å30.2 × 0.1 × 0.1 mm
Z = 2
Data collection top
Rigaku AFC-7R
diffractometer
Rint = 0.035
θ–2θ scansθmax = 27.5°
Absorption correction: integration
(Coppens et al., 1965)
h = 010
Tmin = 0.745, Tmax = 0.854k = 190
3109 measured reflectionsl = 1515
2779 independent reflections3 standard reflections every 150 reflections
1860 reflections with I > 2σ(I) intensity decay: none
Refinement top
Refinement on F2H-atom parameters not refined
R[F2 > 2σ(F2)] = 0.041 w = 1/[σ2(Fo2) + (0.1(Fo2 + 2Fc2)/3)2]
wR(F2) = 0.148(Δ/σ)max = 0.007
S = 0.93Δρmax = 0.56 e Å3
2779 reflectionsΔρmin = 0.38 e Å3
163 parameters
Crystal data top
[Cu2(C2H3O2)4(C7H6N2)2]V = 1212.7 (10) Å3
Mr = 599.55Z = 2
Monoclinic, P21/aMo Kα radiation
a = 7.453 (5) ŵ = 1.81 mm1
b = 14.911 (5) ÅT = 298 K
c = 11.458 (5) Å0.2 × 0.1 × 0.1 mm
β = 107.75 (4)°
Data collection top
Rigaku AFC-7R
diffractometer
1860 reflections with I > 2σ(I)
Absorption correction: integration
(Coppens et al., 1965)
Rint = 0.035
Tmin = 0.745, Tmax = 0.8543 standard reflections every 150 reflections
3109 measured reflections intensity decay: none
2779 independent reflections
Refinement top
R[F2 > 2σ(F2)] = 0.041163 parameters
wR(F2) = 0.148H-atom parameters not refined
S = 0.93Δρmax = 0.56 e Å3
2779 reflectionsΔρmin = 0.38 e Å3
Special details top

Refinement. Refinement using reflections with F2 > 0.0 σ(F2). The weighted R-factor (wR) and goodness of fit (S) are based on F2. R-factor (gt) are based on F. The threshold expression of F2 > 2.0 σ(F2) is used only for calculating R-factor (gt).

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cu10.93853 (7)0.01409 (4)0.09550 (5)0.0297 (1)
O10.7752 (4)0.1007 (2)0.0191 (3)0.0426 (9)
O20.8780 (5)0.0784 (2)0.1804 (3)0.0484 (10)
O30.7574 (5)0.0827 (2)0.0243 (3)0.047 (1)
O40.8539 (4)0.1045 (2)0.1385 (3)0.0448 (10)
N10.8284 (5)0.0445 (3)0.2466 (3)0.039 (1)
N21.0966 (6)0.1248 (3)0.3716 (4)0.050 (1)
C10.7778 (6)0.1172 (3)0.1265 (4)0.038 (1)
C20.6487 (8)0.1906 (4)0.1947 (5)0.060 (2)
C30.7489 (6)0.1217 (3)0.0733 (4)0.036 (1)
C40.6055 (7)0.1949 (4)0.1163 (5)0.052 (2)
C50.6578 (7)0.0135 (3)0.2439 (4)0.043 (1)
C60.5821 (8)0.0244 (4)0.3399 (5)0.051 (2)
C70.6844 (8)0.0674 (4)0.4461 (5)0.055 (2)
C80.8606 (8)0.0989 (3)0.4528 (4)0.046 (1)
C91.0095 (9)0.1459 (4)0.5410 (5)0.062 (2)
C101.1460 (9)0.1614 (4)0.4881 (5)0.062 (2)
C110.9241 (6)0.0866 (3)0.3497 (4)0.037 (1)
H11.17080.12620.31630.0605*
H20.68070.24590.15030.0723*
H30.66270.19740.27470.0723*
H40.52050.17520.20230.0723*
H50.48160.17080.12900.0628*
H60.61450.21930.19190.0628*
H70.62890.24140.05560.0628*
H80.58450.01790.17200.0511*
H90.45830.00190.33240.0609*
H100.63390.07510.51320.0656*
H111.01190.16310.62220.0744*
H121.26090.19320.52600.0741*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cu10.0322 (3)0.0277 (3)0.0299 (3)0.0004 (2)0.0105 (2)0.0001 (2)
O10.046 (2)0.040 (2)0.040 (2)0.010 (1)0.010 (1)0.003 (1)
O20.056 (2)0.047 (2)0.041 (2)0.014 (2)0.013 (2)0.011 (2)
O30.048 (2)0.045 (2)0.052 (2)0.013 (2)0.020 (2)0.003 (2)
O40.041 (2)0.047 (2)0.046 (2)0.013 (1)0.013 (1)0.004 (2)
N10.037 (2)0.046 (2)0.033 (2)0.003 (2)0.010 (2)0.001 (2)
N20.045 (2)0.061 (3)0.043 (2)0.010 (2)0.009 (2)0.008 (2)
C10.037 (2)0.029 (2)0.039 (2)0.003 (2)0.001 (2)0.002 (2)
C20.059 (3)0.052 (3)0.057 (3)0.015 (3)0.001 (3)0.012 (3)
C30.034 (2)0.029 (2)0.041 (3)0.000 (2)0.005 (2)0.003 (2)
C40.049 (3)0.042 (3)0.062 (3)0.015 (2)0.010 (2)0.002 (2)
C50.039 (2)0.048 (3)0.040 (2)0.000 (2)0.010 (2)0.005 (2)
C60.051 (3)0.058 (3)0.052 (3)0.003 (2)0.028 (2)0.000 (3)
C70.074 (4)0.055 (3)0.047 (3)0.007 (3)0.037 (3)0.002 (2)
C80.066 (3)0.039 (3)0.033 (2)0.005 (2)0.016 (2)0.001 (2)
C90.084 (4)0.059 (4)0.040 (3)0.002 (3)0.015 (3)0.013 (3)
C100.067 (4)0.054 (4)0.051 (3)0.013 (3)0.002 (3)0.015 (3)
C110.048 (3)0.029 (2)0.035 (2)0.000 (2)0.012 (2)0.000 (2)
Geometric parameters (Å, º) top
Cu1—Cu1i2.651 (1)C2—H30.960
Cu1—O11.974 (3)C2—H40.960
Cu1—O2i1.976 (3)C3—C41.502 (6)
Cu1—O31.975 (3)C4—H50.960
Cu1—O4i1.997 (3)C4—H60.960
Cu1—N12.177 (4)C4—H70.960
O1—C11.261 (6)C5—C61.390 (7)
O2—C11.248 (6)C5—H80.960
O3—C31.245 (6)C6—C71.382 (8)
O4—C31.262 (6)C6—H90.960
N1—C51.345 (6)C7—C81.375 (8)
N1—C111.336 (6)C7—H100.960
N2—C101.383 (7)C8—C91.435 (7)
N2—C111.357 (6)C8—C111.413 (7)
N2—H10.960C9—C101.353 (9)
C1—C21.509 (6)C9—H110.960
C2—H20.960C10—H120.960
Cu1···Cu1i2.651 (1)C3···C6iv3.596 (7)
O1···C4ii3.413 (6)C4···C5iv3.400 (8)
O4···C4iii3.497 (6)C4···C6iv3.578 (8)
O4···C6iv3.569 (7)C8···C8v3.579 (10)
C3···C5iv3.464 (7)
Cu1i—Cu1—O181.5 (1)H2—C2—H4109.5
Cu1i—Cu1—O2i86.2 (1)H3—C2—H4109.5
Cu1i—Cu1—O384.7 (1)O3—C3—O4124.5 (4)
Cu1i—Cu1—O4i82.8 (1)O3—C3—C4118.1 (4)
Cu1i—Cu1—N1176.5 (1)O4—C3—C4117.4 (4)
O1—Cu1—O2i167.8 (1)C3—C4—H5109.5
O1—Cu1—O389.9 (2)C3—C4—H6109.5
O1—Cu1—O4i89.8 (1)C3—C4—H7109.5
O1—Cu1—N195.0 (1)H5—C4—H6109.5
O2i—Cu1—O388.7 (2)H5—C4—H7109.5
O2i—Cu1—O4i89.0 (2)H6—C4—H7109.5
O2i—Cu1—N197.2 (1)N1—C5—C6123.5 (5)
O3—Cu1—O4i167.4 (1)N1—C5—H8118.3
O3—Cu1—N196.0 (2)C6—C5—H8118.3
O4i—Cu1—N196.6 (1)C5—C6—C7120.2 (5)
Cu1—O1—C1125.9 (3)C5—C6—H9119.9
Cu1i—O2—C1120.5 (3)C7—C6—H9119.9
Cu1—O3—C3123.6 (3)C6—C7—C8118.0 (4)
Cu1i—O4—C3124.3 (3)C6—C7—H10121.0
Cu1—N1—C5119.6 (3)C8—C7—H10121.0
Cu1—N1—C11124.9 (3)C7—C8—C9136.6 (5)
C5—N1—C11115.3 (4)C7—C8—C11117.8 (4)
C10—N2—C11107.6 (4)C9—C8—C11105.5 (5)
C10—N2—H1126.2C8—C9—C10107.1 (5)
C11—N2—H1126.2C8—C9—H11126.5
O1—C1—O2125.6 (4)C10—C9—H11126.5
O1—C1—C2116.7 (4)N2—C10—C9110.5 (5)
O2—C1—C2117.6 (4)N2—C10—H12124.8
C1—C2—H2109.5C9—C10—H12124.8
C1—C2—H3109.5N1—C11—N2125.5 (4)
C1—C2—H4109.5N1—C11—C8125.2 (4)
H2—C2—H3109.5N2—C11—C8109.3 (4)
Symmetry codes: (i) x+2, y, z; (ii) x+3/2, y+1/2, z; (iii) x+1/2, y1/2, z; (iv) x+1, y, z; (v) x+2, y, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N2—H1···O4i0.9602.0152.822 (6)140.4
Symmetry code: (i) x+2, y, z.

Experimental details

Crystal data
Chemical formula[Cu2(C2H3O2)4(C7H6N2)2]
Mr599.55
Crystal system, space groupMonoclinic, P21/a
Temperature (K)298
a, b, c (Å)7.453 (5), 14.911 (5), 11.458 (5)
β (°) 107.75 (4)
V3)1212.7 (10)
Z2
Radiation typeMo Kα
µ (mm1)1.81
Crystal size (mm)0.2 × 0.1 × 0.1
Data collection
DiffractometerRigaku AFC-7R
diffractometer
Absorption correctionIntegration
(Coppens et al., 1965)
Tmin, Tmax0.745, 0.854
No. of measured, independent and
observed [I > 2σ(I)] reflections
3109, 2779, 1860
Rint0.035
(sin θ/λ)max1)0.650
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.041, 0.148, 0.93
No. of reflections2779
No. of parameters163
No. of restraints?
H-atom treatmentH-atom parameters not refined
Δρmax, Δρmin (e Å3)0.56, 0.38

Computer programs: MSC/AFC Diffractometer Control Software (Molecular Structure Corporation, 1993), MSC/AFC Diffractometer Control Software, TEXSAN (Molecular Structure Corporation, 1999), SIR92 (Altomare et al., 1994), TEXSAN.

Selected geometric parameters (Å, º) top
Cu1—Cu1i2.651 (1)Cu1—O31.975 (3)
Cu1—O11.974 (3)Cu1—O4i1.997 (3)
Cu1—O2i1.976 (3)Cu1—N12.177 (4)
O1—Cu1—O2i167.8 (1)O1—C1—O2125.6 (4)
O3—Cu1—O4i167.4 (1)O3—C3—O4124.5 (4)
Symmetry code: (i) x+2, y, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N2—H1···O4i0.9602.0152.822 (6)140.4
Symmetry code: (i) x+2, y, z.
 

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