metal-organic compounds
(μ-Acetato){μ-1,3-bis[2-(2-oxidobenzylideneamino)ethyl]-2-(2-oxidophenyl)-1,3-imidazolidine}dizinc(II) ethanol disolvate dihydrate
aSchool of Chemistry and Material Science, Shanxi Normal University, Linfen, Shanxi 041004, People's Republic of China, and bInstitute of Molecular Science, Key Laboratory of Chemical Biology and Molecular Engineering of the Education Ministry, Shanxi University, Taiyuan, Shanxi 030006, People's Republic of China
*Correspondence e-mail: luliping@sxu.edu.cn
In the title binuclear compound, [Zn2(C27H27N4O3)(C2H3O2)]·2CH3CH2OH·2H2O, both Zn cations adopt distorted ZnO3N2 trigonal-bipyramidal geometries with one N atom in a axial site and one N atom in an equatorial site, arising from coordination by the N,N,N,N,O,O,O-heptadentate ligand and a bridging acetate ion. In the crystal, intermolecular O—H⋯O hydrogen bonds link the component units into a three-dimensional network. Two short C—H⋯O contacts are also seen.
Related literature
For further synthetic details, see: Sarma & Bailar (1955); Lu et al. (2007). For background information on the ligand, see: Fondo et al. (2002); Fondo et al. (2004); Prasant Kumar et al. (2006).
Experimental
Crystal data
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Refinement
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Data collection: SMART (Bruker, 2000); cell SAINT (Bruker, 2000); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL/PC (Sheldrick, 2008); software used to prepare material for publication: SHELXTL/PC.
Supporting information
10.1107/S1600536809020716/hb2964sup1.cif
contains datablocks I, global. DOI:Structure factors: contains datablock I. DOI: 10.1107/S1600536809020716/hb2964Isup2.hkl
The heptadentate Schiff base has been prepared following a modified literature procedure (Sarma & Bailar, 1955; Lu, et al. 2007). The ligand was collected by filtration and recrystallized from warm ethanol. Compared IR spectroscopic data with the literature values has checked identity and purity of the ligand. The title compound (I) was synthesized as following. 0.0885 g Zn(CH3CH2O)2.2H2O was added to 0.0548 g H3L in 25 ml of ethanol solution with stirring, in a 1:1 molar ratio. Refluxed for 2 h, adjusted pH 8 with 1 M NaOH after the solution cooled to room temperature, filtered. Colourless blocks of (I) were grown from the filtrate by slow evaporation.
H atoms attached to C atoms and O(ethanol) of (I) were placed in geometrically idealized positions, with Csp2—H = 0.93, Csp3—H(methylene) = 0.97, Csp3—H(methyl) = 0.96, Csp3—H = 0.98, O—H = 0.82 Å and refined with Uiso(H)=1.2Ueq or 1.5Ueq(methyl, ethanol). The water H atoms were located in a difference map and refined as riding in their as-found relative positions.
Data collection: SMART (Bruker, 2000); cell
SAINT (Bruker, 2000); data reduction: SAINT (Bruker, 2000); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL/PC (Sheldrick, 2008); software used to prepare material for publication: SHELXTL/PC (Sheldrick, 2008).Fig. 1. The structure of (I) with displacement ellipsoids drawn at the 30% probability level for Non-H atoms. |
[Zn2(C27H27N4O3)(C2H3O2)]·2CH6O·2H2O | Z = 2 |
Mr = 773.48 | F(000) = 808 |
Triclinic, P1 | Dx = 1.468 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 10.140 (3) Å | Cell parameters from 4728 reflections |
b = 11.540 (4) Å | θ = 2.2–26.5° |
c = 16.066 (5) Å | µ = 1.43 mm−1 |
α = 91.972 (6)° | T = 298 K |
β = 93.944 (5)° | Block, colourless |
γ = 110.833 (5)° | 0.22 × 0.20 × 0.03 mm |
V = 1749.4 (10) Å3 |
SMART 1K CCD diffractometer | 5943 independent reflections |
Radiation source: fine-focus sealed tube | 4785 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.018 |
ω scans | θmax = 25.0°, θmin = 1.9° |
Absorption correction: multi-scan (SADABS;Bruker, 2000) | h = −12→11 |
Tmin = 0.744, Tmax = 0.958 | k = −13→10 |
8975 measured reflections | l = −19→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)] = 0.045 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.151 | H-atom parameters constrained |
S = 1.09 | w = 1/[σ2(Fo2) + (0.0929P)2 + 0.4983P] where P = (Fo2 + 2Fc2)/3 |
5943 reflections | (Δ/σ)max = 0.009 |
437 parameters | Δρmax = 0.82 e Å−3 |
14 restraints | Δρmin = −0.60 e Å−3 |
[Zn2(C27H27N4O3)(C2H3O2)]·2CH6O·2H2O | γ = 110.833 (5)° |
Mr = 773.48 | V = 1749.4 (10) Å3 |
Triclinic, P1 | Z = 2 |
a = 10.140 (3) Å | Mo Kα radiation |
b = 11.540 (4) Å | µ = 1.43 mm−1 |
c = 16.066 (5) Å | T = 298 K |
α = 91.972 (6)° | 0.22 × 0.20 × 0.03 mm |
β = 93.944 (5)° |
SMART 1K CCD diffractometer | 5943 independent reflections |
Absorption correction: multi-scan (SADABS;Bruker, 2000) | 4785 reflections with I > 2σ(I) |
Tmin = 0.744, Tmax = 0.958 | Rint = 0.018 |
8975 measured reflections |
R[F2 > 2σ(F2)] = 0.045 | 14 restraints |
wR(F2) = 0.151 | H-atom parameters constrained |
S = 1.09 | Δρmax = 0.82 e Å−3 |
5943 reflections | Δρmin = −0.60 e Å−3 |
437 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 | ||
Zn1 | 0.08495 (4) | 0.22680 (4) | 0.14633 (3) | 0.05247 (17) | |
Zn2 | 0.20169 (5) | 0.50951 (4) | 0.22548 (3) | 0.05443 (17) | |
N1 | 0.0865 (3) | 0.0549 (3) | 0.1233 (2) | 0.0569 (8) | |
N2 | 0.3245 (3) | 0.2542 (3) | 0.1953 (2) | 0.0536 (7) | |
N3 | 0.4056 (3) | 0.4539 (3) | 0.2503 (2) | 0.0566 (8) | |
N4 | 0.3384 (3) | 0.6668 (3) | 0.2863 (2) | 0.0618 (8) | |
C1 | −0.2122 (4) | 0.0545 (4) | 0.1133 (2) | 0.0597 (10) | |
C2 | −0.3590 (4) | 0.0315 (4) | 0.1036 (3) | 0.0719 (12) | |
H2 | −0.3898 | 0.0983 | 0.1070 | 0.086* | |
C3 | −0.4571 (5) | −0.0861 (5) | 0.0895 (3) | 0.0774 (13) | |
H3 | −0.5528 | −0.0975 | 0.0838 | 0.093* | |
C4 | −0.4167 (5) | −0.1883 (5) | 0.0836 (3) | 0.0751 (12) | |
H4 | −0.4839 | −0.2682 | 0.0752 | 0.090* | |
C5 | −0.2739 (5) | −0.1683 (4) | 0.0907 (3) | 0.0692 (11) | |
H5 | −0.2455 | −0.2364 | 0.0861 | 0.083* | |
C6 | −0.1709 (4) | −0.0504 (3) | 0.1043 (2) | 0.0544 (9) | |
C7 | −0.0231 (4) | −0.0419 (4) | 0.1092 (2) | 0.0566 (9) | |
H7 | −0.0080 | −0.1163 | 0.1011 | 0.068* | |
C8 | 0.2267 (4) | 0.0441 (4) | 0.1272 (3) | 0.0612 (10) | |
H8A | 0.2710 | 0.0709 | 0.0761 | 0.073* | |
H8B | 0.2175 | −0.0418 | 0.1332 | 0.073* | |
C9 | 0.3153 (4) | 0.1239 (4) | 0.2005 (3) | 0.0628 (10) | |
H9A | 0.2744 | 0.0921 | 0.2516 | 0.075* | |
H9B | 0.4098 | 0.1206 | 0.2024 | 0.075* | |
C10 | 0.4315 (4) | 0.3269 (4) | 0.1393 (3) | 0.0664 (11) | |
H10A | 0.5082 | 0.2954 | 0.1376 | 0.080* | |
H10B | 0.3882 | 0.3223 | 0.0829 | 0.080* | |
C11 | 0.4848 (4) | 0.4573 (4) | 0.1762 (3) | 0.0694 (11) | |
H11A | 0.5858 | 0.4853 | 0.1921 | 0.083* | |
H11B | 0.4670 | 0.5127 | 0.1366 | 0.083* | |
C12 | 0.3722 (4) | 0.3261 (4) | 0.2764 (2) | 0.0546 (9) | |
H12 | 0.4596 | 0.3164 | 0.2992 | 0.065* | |
C13 | 0.2647 (4) | 0.2889 (3) | 0.3391 (2) | 0.0520 (8) | |
C14 | 0.2967 (5) | 0.2487 (4) | 0.4157 (3) | 0.0667 (11) | |
H14 | 0.3854 | 0.2435 | 0.4276 | 0.080* | |
C15 | 0.1989 (5) | 0.2163 (5) | 0.4743 (3) | 0.0780 (13) | |
H15 | 0.2220 | 0.1906 | 0.5257 | 0.094* | |
C16 | 0.0674 (5) | 0.2222 (5) | 0.4565 (3) | 0.0785 (13) | |
H16 | 0.0010 | 0.1994 | 0.4958 | 0.094* | |
C17 | 0.0326 (4) | 0.2613 (4) | 0.3813 (3) | 0.0613 (10) | |
H17 | −0.0570 | 0.2652 | 0.3705 | 0.074* | |
C18 | 0.1289 (4) | 0.2953 (3) | 0.3212 (2) | 0.0477 (8) | |
C19 | 0.4876 (4) | 0.5472 (4) | 0.3184 (3) | 0.0697 (11) | |
H19A | 0.5846 | 0.5499 | 0.3242 | 0.084* | |
H19B | 0.4467 | 0.5235 | 0.3709 | 0.084* | |
C20 | 0.4862 (4) | 0.6744 (4) | 0.2993 (3) | 0.0731 (12) | |
H20A | 0.5351 | 0.7340 | 0.3454 | 0.088* | |
H20B | 0.5344 | 0.7017 | 0.2494 | 0.088* | |
C21 | 0.3042 (4) | 0.7583 (4) | 0.3131 (3) | 0.0612 (10) | |
H21 | 0.3772 | 0.8267 | 0.3392 | 0.073* | |
C22 | 0.1655 (4) | 0.7655 (4) | 0.3069 (2) | 0.0566 (9) | |
C23 | 0.1567 (5) | 0.8780 (4) | 0.3388 (3) | 0.0633 (10) | |
H23 | 0.2382 | 0.9391 | 0.3641 | 0.076* | |
C24 | 0.0333 (5) | 0.9001 (4) | 0.3339 (3) | 0.0696 (11) | |
H24 | 0.0307 | 0.9755 | 0.3545 | 0.084* | |
C25 | −0.0882 (5) | 0.8085 (4) | 0.2975 (3) | 0.0702 (11) | |
H25 | −0.1731 | 0.8225 | 0.2930 | 0.084* | |
C26 | −0.0841 (4) | 0.6961 (4) | 0.2678 (3) | 0.0630 (10) | |
H26 | −0.1677 | 0.6347 | 0.2452 | 0.076* | |
C27 | 0.0417 (4) | 0.6716 (4) | 0.2707 (2) | 0.0537 (9) | |
C28 | 0.1736 (4) | 0.4442 (5) | 0.0426 (3) | 0.0613 (10) | |
C29 | 0.1851 (7) | 0.4939 (6) | −0.0427 (3) | 0.0991 (18) | |
H29A | 0.2444 | 0.4622 | −0.0733 | 0.149* | |
H29B | 0.2259 | 0.5830 | −0.0374 | 0.149* | |
H29C | 0.0926 | 0.4684 | −0.0719 | 0.149* | |
O1 | −0.1248 (3) | 0.1685 (3) | 0.1286 (2) | 0.0772 (9) | |
O2 | 0.0941 (2) | 0.3340 (2) | 0.24742 (14) | 0.0472 (5) | |
O3 | 0.1323 (4) | 0.3318 (3) | 0.04947 (18) | 0.0733 (8) | |
O4 | 0.2108 (4) | 0.5244 (3) | 0.1030 (2) | 0.0794 (9) | |
O5 | 0.0387 (3) | 0.5631 (3) | 0.2420 (2) | 0.0691 (8) | |
O6 | 0.2092 (3) | 0.6480 (3) | 0.7851 (2) | 0.0703 (8) | |
H6A | 0.2034 | 0.7153 | 0.8090 | 0.105* | |
H6B | 0.1418 | 0.5853 | 0.7990 | 0.105* | |
O7 | 0.1725 (9) | 0.7596 (7) | 0.0605 (5) | 0.213 (4) | |
H7A | 0.2031 | 0.7019 | 0.0718 | 0.320* | |
H7B | 0.2001 | 0.7860 | 0.0128 | 0.320* | |
C30 | 0.2098 (9) | 0.5605 (8) | 0.5762 (4) | 0.127 (3) | |
H30A | 0.2234 | 0.4844 | 0.5905 | 0.153* | |
H30B | 0.1117 | 0.5502 | 0.5817 | 0.153* | |
C31 | 0.2435 (14) | 0.5870 (10) | 0.4942 (5) | 0.199 (6) | |
H31A | 0.1894 | 0.6334 | 0.4710 | 0.299* | |
H31B | 0.2215 | 0.5107 | 0.4609 | 0.299* | |
H31C | 0.3427 | 0.6350 | 0.4944 | 0.299* | |
O8 | 0.3030 (4) | 0.6641 (5) | 0.6310 (3) | 0.1170 (15) | |
H8 | 0.2853 | 0.6509 | 0.6796 | 0.175* | |
C32 | 0.6498 (10) | 0.0359 (9) | 0.4137 (6) | 0.139 (3) | |
H32A | 0.6157 | −0.0467 | 0.4342 | 0.167* | |
H32B | 0.7338 | 0.0879 | 0.4482 | 0.167* | |
C33 | 0.6737 (12) | 0.0333 (9) | 0.3300 (7) | 0.185 (5) | |
H33A | 0.6241 | −0.0489 | 0.3049 | 0.278* | |
H33B | 0.7733 | 0.0557 | 0.3249 | 0.278* | |
H33C | 0.6402 | 0.0911 | 0.3022 | 0.278* | |
O9 | 0.5470 (10) | 0.0873 (7) | 0.4090 (7) | 0.232 (4) | |
H9 | 0.5842 | 0.1632 | 0.4112 | 0.349* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Zn1 | 0.0555 (3) | 0.0558 (3) | 0.0513 (3) | 0.0263 (2) | 0.00372 (19) | 0.00521 (19) |
Zn2 | 0.0532 (3) | 0.0547 (3) | 0.0556 (3) | 0.0197 (2) | 0.00390 (19) | 0.00497 (19) |
N1 | 0.0601 (19) | 0.065 (2) | 0.0561 (18) | 0.0347 (17) | 0.0064 (15) | 0.0058 (15) |
N2 | 0.0495 (17) | 0.0658 (19) | 0.0560 (18) | 0.0310 (15) | 0.0136 (14) | 0.0149 (15) |
N3 | 0.0444 (16) | 0.064 (2) | 0.065 (2) | 0.0221 (15) | 0.0084 (14) | 0.0114 (15) |
N4 | 0.0450 (17) | 0.067 (2) | 0.070 (2) | 0.0161 (15) | 0.0042 (15) | 0.0061 (17) |
C1 | 0.055 (2) | 0.068 (3) | 0.058 (2) | 0.027 (2) | 0.0006 (18) | −0.0042 (19) |
C2 | 0.054 (2) | 0.071 (3) | 0.090 (3) | 0.025 (2) | −0.003 (2) | −0.010 (2) |
C3 | 0.058 (3) | 0.094 (4) | 0.081 (3) | 0.028 (2) | 0.006 (2) | −0.001 (3) |
C4 | 0.068 (3) | 0.072 (3) | 0.071 (3) | 0.007 (2) | 0.002 (2) | 0.003 (2) |
C5 | 0.081 (3) | 0.058 (2) | 0.070 (3) | 0.026 (2) | 0.002 (2) | 0.006 (2) |
C6 | 0.061 (2) | 0.055 (2) | 0.049 (2) | 0.0223 (18) | 0.0014 (17) | 0.0055 (16) |
C7 | 0.064 (2) | 0.052 (2) | 0.062 (2) | 0.0295 (19) | 0.0052 (18) | 0.0042 (17) |
C8 | 0.059 (2) | 0.066 (2) | 0.070 (3) | 0.036 (2) | 0.0111 (19) | 0.004 (2) |
C9 | 0.057 (2) | 0.079 (3) | 0.069 (2) | 0.043 (2) | 0.0110 (19) | 0.018 (2) |
C10 | 0.053 (2) | 0.086 (3) | 0.069 (3) | 0.032 (2) | 0.0218 (19) | 0.017 (2) |
C11 | 0.050 (2) | 0.079 (3) | 0.083 (3) | 0.023 (2) | 0.022 (2) | 0.020 (2) |
C12 | 0.0420 (18) | 0.074 (2) | 0.052 (2) | 0.0271 (17) | 0.0007 (15) | 0.0081 (18) |
C13 | 0.051 (2) | 0.060 (2) | 0.051 (2) | 0.0270 (17) | 0.0050 (16) | 0.0091 (16) |
C14 | 0.060 (2) | 0.090 (3) | 0.059 (2) | 0.039 (2) | 0.0000 (19) | 0.013 (2) |
C15 | 0.090 (3) | 0.101 (4) | 0.052 (2) | 0.044 (3) | 0.007 (2) | 0.023 (2) |
C16 | 0.081 (3) | 0.105 (4) | 0.059 (3) | 0.040 (3) | 0.026 (2) | 0.024 (2) |
C17 | 0.050 (2) | 0.077 (3) | 0.061 (2) | 0.0260 (19) | 0.0149 (18) | 0.010 (2) |
C18 | 0.0456 (18) | 0.055 (2) | 0.0439 (18) | 0.0192 (16) | 0.0037 (14) | 0.0028 (15) |
C19 | 0.041 (2) | 0.079 (3) | 0.083 (3) | 0.0179 (19) | −0.0087 (19) | −0.003 (2) |
C20 | 0.048 (2) | 0.068 (3) | 0.095 (3) | 0.0106 (19) | 0.006 (2) | 0.003 (2) |
C21 | 0.053 (2) | 0.055 (2) | 0.070 (3) | 0.0144 (18) | 0.0028 (19) | 0.0009 (19) |
C22 | 0.059 (2) | 0.051 (2) | 0.059 (2) | 0.0181 (17) | 0.0044 (17) | 0.0121 (17) |
C23 | 0.066 (2) | 0.055 (2) | 0.065 (2) | 0.0166 (19) | 0.0029 (19) | 0.0028 (18) |
C24 | 0.086 (3) | 0.055 (2) | 0.074 (3) | 0.031 (2) | 0.020 (2) | 0.010 (2) |
C25 | 0.068 (3) | 0.076 (3) | 0.074 (3) | 0.034 (2) | 0.014 (2) | 0.010 (2) |
C26 | 0.054 (2) | 0.062 (2) | 0.070 (3) | 0.0180 (18) | 0.0047 (19) | 0.0014 (19) |
C27 | 0.054 (2) | 0.053 (2) | 0.055 (2) | 0.0200 (17) | 0.0063 (16) | 0.0032 (17) |
C28 | 0.061 (2) | 0.085 (3) | 0.053 (2) | 0.042 (2) | 0.0157 (18) | 0.017 (2) |
C29 | 0.140 (5) | 0.107 (4) | 0.064 (3) | 0.057 (4) | 0.021 (3) | 0.029 (3) |
O1 | 0.0533 (16) | 0.0614 (18) | 0.116 (3) | 0.0245 (14) | −0.0111 (16) | −0.0170 (17) |
O2 | 0.0396 (12) | 0.0561 (14) | 0.0486 (13) | 0.0202 (10) | 0.0035 (10) | 0.0065 (10) |
O3 | 0.097 (2) | 0.075 (2) | 0.0534 (16) | 0.0353 (17) | 0.0087 (15) | 0.0175 (14) |
O4 | 0.110 (3) | 0.076 (2) | 0.0631 (19) | 0.0431 (19) | 0.0184 (17) | 0.0240 (16) |
O5 | 0.0545 (15) | 0.0592 (17) | 0.090 (2) | 0.0205 (13) | −0.0054 (14) | −0.0136 (15) |
O6 | 0.0563 (16) | 0.0773 (19) | 0.080 (2) | 0.0279 (14) | 0.0070 (14) | 0.0029 (15) |
O7 | 0.290 (10) | 0.149 (6) | 0.199 (8) | 0.087 (6) | −0.036 (7) | 0.008 (5) |
C30 | 0.158 (7) | 0.158 (7) | 0.089 (4) | 0.090 (6) | −0.008 (4) | −0.005 (4) |
C31 | 0.296 (15) | 0.171 (9) | 0.074 (5) | 0.011 (9) | 0.045 (6) | −0.008 (5) |
O8 | 0.094 (3) | 0.174 (4) | 0.076 (2) | 0.044 (3) | −0.002 (2) | −0.012 (3) |
C32 | 0.139 (3) | 0.139 (3) | 0.139 (3) | 0.0500 (13) | 0.0112 (10) | 0.0098 (10) |
C33 | 0.205 (11) | 0.136 (7) | 0.158 (9) | −0.014 (7) | 0.053 (8) | −0.001 (6) |
O9 | 0.232 (4) | 0.232 (4) | 0.233 (4) | 0.0837 (17) | 0.0205 (11) | 0.0152 (11) |
Zn1—O2 | 1.984 (2) | C15—H15 | 0.9300 |
Zn1—O3 | 1.984 (3) | C16—C17 | 1.370 (6) |
Zn1—O1 | 1.986 (3) | C16—H16 | 0.9300 |
Zn1—N1 | 2.011 (3) | C17—C18 | 1.387 (5) |
Zn1—N2 | 2.407 (3) | C17—H17 | 0.9300 |
Zn2—O2 | 1.987 (2) | C18—O2 | 1.350 (4) |
Zn2—O4 | 1.987 (3) | C19—C20 | 1.515 (7) |
Zn2—O5 | 1.991 (3) | C19—H19A | 0.9700 |
Zn2—N4 | 2.019 (3) | C19—H19B | 0.9700 |
Zn2—N3 | 2.386 (3) | C20—H20A | 0.9700 |
N1—C7 | 1.265 (5) | C20—H20B | 0.9700 |
N1—C8 | 1.468 (5) | C21—C22 | 1.435 (6) |
N2—C12 | 1.474 (5) | C21—H21 | 0.9300 |
N2—C9 | 1.479 (5) | C22—C27 | 1.406 (5) |
N2—C10 | 1.493 (5) | C22—C23 | 1.414 (6) |
N3—C12 | 1.474 (5) | C23—C24 | 1.361 (6) |
N3—C11 | 1.476 (5) | C23—H23 | 0.9300 |
N3—C19 | 1.485 (5) | C24—C25 | 1.381 (7) |
N4—C21 | 1.292 (5) | C24—H24 | 0.9300 |
N4—C20 | 1.469 (5) | C25—C26 | 1.382 (6) |
C1—O1 | 1.302 (5) | C25—H25 | 0.9300 |
C1—C2 | 1.412 (6) | C26—C27 | 1.400 (6) |
C1—C6 | 1.421 (5) | C26—H26 | 0.9300 |
C2—C3 | 1.368 (7) | C27—O5 | 1.308 (5) |
C2—H2 | 0.9300 | C28—O3 | 1.225 (5) |
C3—C4 | 1.381 (7) | C28—O4 | 1.256 (5) |
C3—H3 | 0.9300 | C28—C29 | 1.500 (6) |
C4—C5 | 1.378 (7) | C29—H29A | 0.9600 |
C4—H4 | 0.9300 | C29—H29B | 0.9600 |
C5—C6 | 1.389 (6) | C29—H29C | 0.9600 |
C5—H5 | 0.9300 | O6—H6A | 0.8774 |
C6—C7 | 1.463 (5) | O6—H6B | 0.8491 |
C7—H7 | 0.9300 | O7—H7A | 0.8487 |
C8—C9 | 1.495 (6) | O7—H7B | 0.8620 |
C8—H8A | 0.9700 | C30—C31 | 1.400 (10) |
C8—H8B | 0.9700 | C30—O8 | 1.452 (9) |
C9—H9A | 0.9700 | C30—H30A | 0.9700 |
C9—H9B | 0.9700 | C30—H30B | 0.9700 |
C10—C11 | 1.491 (7) | C31—H31A | 0.9600 |
C10—H10A | 0.9700 | C31—H31B | 0.9600 |
C10—H10B | 0.9700 | C31—H31C | 0.9600 |
C11—H11A | 0.9700 | O8—H8 | 0.8200 |
C11—H11B | 0.9700 | C32—O9 | 1.370 (11) |
C12—C13 | 1.496 (5) | C32—C33 | 1.383 (12) |
C12—H12 | 0.9800 | C32—H32A | 0.9700 |
C13—C14 | 1.387 (5) | C32—H32B | 0.9700 |
C13—C18 | 1.415 (5) | C33—H33A | 0.9600 |
C14—C15 | 1.378 (6) | C33—H33B | 0.9600 |
C14—H14 | 0.9300 | C33—H33C | 0.9600 |
C15—C16 | 1.370 (7) | O9—H9 | 0.8200 |
O2—Zn1—O3 | 108.98 (12) | C15—C14—C13 | 120.9 (4) |
O2—Zn1—O1 | 93.56 (11) | C15—C14—H14 | 119.5 |
O3—Zn1—O1 | 98.80 (15) | C13—C14—H14 | 119.5 |
O2—Zn1—N1 | 135.96 (11) | C16—C15—C14 | 119.7 (4) |
O3—Zn1—N1 | 113.08 (13) | C16—C15—H15 | 120.1 |
O1—Zn1—N1 | 92.47 (13) | C14—C15—H15 | 120.1 |
O2—Zn1—N2 | 84.15 (10) | C17—C16—C15 | 120.7 (4) |
O3—Zn1—N2 | 96.71 (12) | C17—C16—H16 | 119.6 |
O1—Zn1—N2 | 164.21 (13) | C15—C16—H16 | 119.6 |
N1—Zn1—N2 | 78.67 (12) | C16—C17—C18 | 121.0 (4) |
O2—Zn2—O4 | 109.20 (12) | C16—C17—H17 | 119.5 |
O2—Zn2—O5 | 93.41 (11) | C18—C17—H17 | 119.5 |
O4—Zn2—O5 | 99.82 (14) | O2—C18—C17 | 120.8 (3) |
O2—Zn2—N4 | 139.65 (12) | O2—C18—C13 | 120.7 (3) |
O4—Zn2—N4 | 109.35 (14) | C17—C18—C13 | 118.6 (3) |
O5—Zn2—N4 | 91.40 (13) | N3—C19—C20 | 110.2 (4) |
O2—Zn2—N3 | 84.67 (10) | N3—C19—H19A | 109.6 |
O4—Zn2—N3 | 97.01 (13) | C20—C19—H19A | 109.6 |
O5—Zn2—N3 | 162.73 (13) | N3—C19—H19B | 109.6 |
N4—Zn2—N3 | 79.32 (13) | C20—C19—H19B | 109.6 |
C7—N1—C8 | 119.3 (3) | H19A—C19—H19B | 108.1 |
C7—N1—Zn1 | 124.7 (3) | N4—C20—C19 | 108.8 (3) |
C8—N1—Zn1 | 115.9 (3) | N4—C20—H20A | 109.9 |
C12—N2—C9 | 112.3 (3) | C19—C20—H20A | 109.9 |
C12—N2—C10 | 103.0 (3) | N4—C20—H20B | 109.9 |
C9—N2—C10 | 113.8 (3) | C19—C20—H20B | 109.9 |
C12—N2—Zn1 | 113.4 (2) | H20A—C20—H20B | 108.3 |
C9—N2—Zn1 | 101.4 (2) | N4—C21—C22 | 126.8 (4) |
C10—N2—Zn1 | 113.3 (2) | N4—C21—H21 | 116.6 |
C12—N3—C11 | 103.6 (3) | C22—C21—H21 | 116.6 |
C12—N3—C19 | 111.6 (3) | C27—C22—C23 | 118.9 (4) |
C11—N3—C19 | 113.1 (3) | C27—C22—C21 | 125.2 (4) |
C12—N3—Zn2 | 113.5 (2) | C23—C22—C21 | 115.9 (4) |
C11—N3—Zn2 | 114.1 (2) | C24—C23—C22 | 122.4 (4) |
C19—N3—Zn2 | 101.3 (2) | C24—C23—H23 | 118.8 |
C21—N4—C20 | 119.6 (4) | C22—C23—H23 | 118.8 |
C21—N4—Zn2 | 124.6 (3) | C23—C24—C25 | 118.7 (4) |
C20—N4—Zn2 | 115.8 (3) | C23—C24—H24 | 120.6 |
O1—C1—C2 | 118.7 (4) | C25—C24—H24 | 120.6 |
O1—C1—C6 | 124.7 (4) | C24—C25—C26 | 120.4 (4) |
C2—C1—C6 | 116.6 (4) | C24—C25—H25 | 119.8 |
C3—C2—C1 | 121.9 (4) | C26—C25—H25 | 119.8 |
C3—C2—H2 | 119.1 | C25—C26—C27 | 122.1 (4) |
C1—C2—H2 | 119.1 | C25—C26—H26 | 118.9 |
C2—C3—C4 | 121.3 (4) | C27—C26—H26 | 118.9 |
C2—C3—H3 | 119.4 | O5—C27—C26 | 119.3 (4) |
C4—C3—H3 | 119.4 | O5—C27—C22 | 123.3 (3) |
C5—C4—C3 | 118.1 (4) | C26—C27—C22 | 117.4 (4) |
C5—C4—H4 | 121.0 | O3—C28—O4 | 124.7 (4) |
C3—C4—H4 | 121.0 | O3—C28—C29 | 119.7 (4) |
C4—C5—C6 | 122.4 (4) | O4—C28—C29 | 115.7 (4) |
C4—C5—H5 | 118.8 | C28—C29—H29A | 109.5 |
C6—C5—H5 | 118.8 | C28—C29—H29B | 109.5 |
C5—C6—C1 | 119.6 (4) | H29A—C29—H29B | 109.5 |
C5—C6—C7 | 116.9 (4) | C28—C29—H29C | 109.5 |
C1—C6—C7 | 123.4 (3) | H29A—C29—H29C | 109.5 |
N1—C7—C6 | 127.4 (3) | H29B—C29—H29C | 109.5 |
N1—C7—H7 | 116.3 | C1—O1—Zn1 | 127.1 (3) |
C6—C7—H7 | 116.3 | C18—O2—Zn1 | 116.5 (2) |
N1—C8—C9 | 108.4 (3) | C18—O2—Zn2 | 116.3 (2) |
N1—C8—H8A | 110.0 | Zn1—O2—Zn2 | 108.80 (11) |
C9—C8—H8A | 110.0 | C28—O3—Zn1 | 133.2 (3) |
N1—C8—H8B | 110.0 | C28—O4—Zn2 | 131.8 (3) |
C9—C8—H8B | 110.0 | C27—O5—Zn2 | 128.0 (2) |
H8A—C8—H8B | 108.4 | H6A—O6—H6B | 108.8 |
N2—C9—C8 | 111.1 (3) | H7A—O7—H7B | 108.3 |
N2—C9—H9A | 109.4 | C31—C30—O8 | 107.5 (8) |
C8—C9—H9A | 109.4 | C31—C30—H30A | 110.2 |
N2—C9—H9B | 109.4 | O8—C30—H30A | 110.2 |
C8—C9—H9B | 109.4 | C31—C30—H30B | 110.2 |
H9A—C9—H9B | 108.0 | O8—C30—H30B | 110.2 |
C11—C10—N2 | 105.4 (3) | H30A—C30—H30B | 108.5 |
C11—C10—H10A | 110.7 | C30—C31—H31A | 109.5 |
N2—C10—H10A | 110.7 | C30—C31—H31B | 109.5 |
C11—C10—H10B | 110.7 | H31A—C31—H31B | 109.5 |
N2—C10—H10B | 110.7 | C30—C31—H31C | 109.5 |
H10A—C10—H10B | 108.8 | H31A—C31—H31C | 109.5 |
N3—C11—C10 | 105.2 (3) | H31B—C31—H31C | 109.5 |
N3—C11—H11A | 110.7 | C30—O8—H8 | 109.5 |
C10—C11—H11A | 110.7 | O9—C32—C33 | 99.1 (10) |
N3—C11—H11B | 110.7 | O9—C32—H32A | 111.9 |
C10—C11—H11B | 110.7 | C33—C32—H32A | 111.9 |
H11A—C11—H11B | 108.8 | O9—C32—H32B | 111.9 |
N3—C12—N2 | 101.1 (3) | C33—C32—H32B | 112.0 |
N3—C12—C13 | 114.4 (3) | H32A—C32—H32B | 109.6 |
N2—C12—C13 | 113.5 (3) | C32—C33—H33A | 109.5 |
N3—C12—H12 | 109.2 | C32—C33—H33B | 109.5 |
N2—C12—H12 | 109.2 | H33A—C33—H33B | 109.5 |
C13—C12—H12 | 109.2 | C32—C33—H33C | 109.5 |
C14—C13—C18 | 119.1 (3) | H33A—C33—H33C | 109.5 |
C14—C13—C12 | 120.7 (3) | H33B—C33—H33C | 109.5 |
C18—C13—C12 | 120.2 (3) | C32—O9—H9 | 109.5 |
O2—Zn1—N1—C7 | 94.1 (3) | N3—C12—C13—C14 | −122.5 (4) |
O3—Zn1—N1—C7 | −104.3 (3) | N2—C12—C13—C14 | 122.1 (4) |
O1—Zn1—N1—C7 | −3.6 (3) | N3—C12—C13—C18 | 57.0 (5) |
N2—Zn1—N1—C7 | 163.2 (3) | N2—C12—C13—C18 | −58.4 (5) |
O2—Zn1—N1—C8 | −83.2 (3) | C18—C13—C14—C15 | −0.7 (7) |
O3—Zn1—N1—C8 | 78.5 (3) | C12—C13—C14—C15 | 178.9 (4) |
O1—Zn1—N1—C8 | 179.1 (3) | C13—C14—C15—C16 | 0.9 (8) |
N2—Zn1—N1—C8 | −14.1 (3) | C14—C15—C16—C17 | −0.8 (8) |
O2—Zn1—N2—C12 | 3.6 (2) | C15—C16—C17—C18 | 0.4 (8) |
O3—Zn1—N2—C12 | 112.1 (3) | C16—C17—C18—O2 | −179.9 (4) |
O1—Zn1—N2—C12 | −78.7 (5) | C16—C17—C18—C13 | −0.1 (6) |
N1—Zn1—N2—C12 | −135.6 (3) | C14—C13—C18—O2 | 180.0 (4) |
O2—Zn1—N2—C9 | 124.3 (2) | C12—C13—C18—O2 | 0.4 (5) |
O3—Zn1—N2—C9 | −127.2 (2) | C14—C13—C18—C17 | 0.3 (6) |
O1—Zn1—N2—C9 | 41.9 (5) | C12—C13—C18—C17 | −179.3 (4) |
N1—Zn1—N2—C9 | −15.0 (2) | C12—N3—C19—C20 | −164.7 (3) |
O2—Zn1—N2—C10 | −113.3 (3) | C11—N3—C19—C20 | 78.9 (4) |
O3—Zn1—N2—C10 | −4.8 (3) | Zn2—N3—C19—C20 | −43.7 (4) |
O1—Zn1—N2—C10 | 164.3 (4) | C21—N4—C20—C19 | 142.6 (4) |
N1—Zn1—N2—C10 | 107.5 (3) | Zn2—N4—C20—C19 | −37.8 (5) |
O2—Zn2—N3—C12 | −4.4 (2) | N3—C19—C20—N4 | 56.2 (5) |
O4—Zn2—N3—C12 | −113.1 (3) | C20—N4—C21—C22 | −179.0 (4) |
O5—Zn2—N3—C12 | 79.9 (5) | Zn2—N4—C21—C22 | 1.4 (6) |
N4—Zn2—N3—C12 | 138.4 (3) | N4—C21—C22—C27 | 0.7 (7) |
O2—Zn2—N3—C11 | 114.0 (3) | N4—C21—C22—C23 | −177.9 (4) |
O4—Zn2—N3—C11 | 5.3 (3) | C27—C22—C23—C24 | −1.7 (6) |
O5—Zn2—N3—C11 | −161.7 (4) | C21—C22—C23—C24 | 177.0 (4) |
N4—Zn2—N3—C11 | −103.2 (3) | C22—C23—C24—C25 | 1.1 (7) |
O2—Zn2—N3—C19 | −124.1 (3) | C23—C24—C25—C26 | 0.8 (7) |
O4—Zn2—N3—C19 | 127.2 (3) | C24—C25—C26—C27 | −2.0 (7) |
O5—Zn2—N3—C19 | −39.8 (5) | C25—C26—C27—O5 | 179.6 (4) |
N4—Zn2—N3—C19 | 18.7 (3) | C25—C26—C27—C22 | 1.3 (6) |
O2—Zn2—N4—C21 | −101.8 (4) | C23—C22—C27—O5 | −177.7 (4) |
O4—Zn2—N4—C21 | 96.1 (4) | C21—C22—C27—O5 | 3.6 (6) |
O5—Zn2—N4—C21 | −4.9 (4) | C23—C22—C27—C26 | 0.5 (6) |
N3—Zn2—N4—C21 | −170.2 (4) | C21—C22—C27—C26 | −178.1 (4) |
O2—Zn2—N4—C20 | 78.5 (3) | C2—C1—O1—Zn1 | 179.1 (3) |
O4—Zn2—N4—C20 | −83.6 (3) | C6—C1—O1—Zn1 | −1.6 (6) |
O5—Zn2—N4—C20 | 175.5 (3) | O2—Zn1—O1—C1 | −132.8 (4) |
N3—Zn2—N4—C20 | 10.2 (3) | O3—Zn1—O1—C1 | 117.4 (4) |
O1—C1—C2—C3 | −178.3 (5) | N1—Zn1—O1—C1 | 3.6 (4) |
C6—C1—C2—C3 | 2.4 (7) | N2—Zn1—O1—C1 | −51.7 (7) |
C1—C2—C3—C4 | −0.3 (8) | C17—C18—O2—Zn1 | −114.9 (3) |
C2—C3—C4—C5 | −1.3 (7) | C13—C18—O2—Zn1 | 65.3 (4) |
C3—C4—C5—C6 | 0.8 (7) | C17—C18—O2—Zn2 | 114.7 (3) |
C4—C5—C6—C1 | 1.3 (6) | C13—C18—O2—Zn2 | −65.0 (4) |
C4—C5—C6—C7 | −179.0 (4) | O3—Zn1—O2—C18 | −150.8 (2) |
O1—C1—C6—C5 | 177.9 (4) | O1—Zn1—O2—C18 | 108.6 (2) |
C2—C1—C6—C5 | −2.8 (6) | N1—Zn1—O2—C18 | 11.3 (3) |
O1—C1—C6—C7 | −1.7 (6) | N2—Zn1—O2—C18 | −55.7 (2) |
C2—C1—C6—C7 | 177.6 (4) | O3—Zn1—O2—Zn2 | −17.05 (15) |
C8—N1—C7—C6 | 179.0 (4) | O1—Zn1—O2—Zn2 | −117.62 (13) |
Zn1—N1—C7—C6 | 1.8 (6) | N1—Zn1—O2—Zn2 | 145.11 (15) |
C5—C6—C7—N1 | −178.0 (4) | N2—Zn1—O2—Zn2 | 78.06 (11) |
C1—C6—C7—N1 | 1.6 (6) | O4—Zn2—O2—C18 | 151.3 (2) |
C7—N1—C8—C9 | −135.9 (4) | O5—Zn2—O2—C18 | −107.1 (2) |
Zn1—N1—C8—C9 | 41.5 (4) | N4—Zn2—O2—C18 | −10.9 (3) |
C12—N2—C9—C8 | 162.5 (3) | N3—Zn2—O2—C18 | 55.7 (2) |
C10—N2—C9—C8 | −81.0 (4) | O4—Zn2—O2—Zn1 | 17.41 (15) |
Zn1—N2—C9—C8 | 41.1 (3) | O5—Zn2—O2—Zn1 | 119.05 (13) |
N1—C8—C9—N2 | −56.5 (4) | N4—Zn2—O2—Zn1 | −144.75 (16) |
C12—N2—C10—C11 | −26.8 (4) | N3—Zn2—O2—Zn1 | −78.17 (12) |
C9—N2—C10—C11 | −148.6 (3) | O4—C28—O3—Zn1 | 7.9 (7) |
Zn1—N2—C10—C11 | 96.2 (3) | C29—C28—O3—Zn1 | −173.5 (4) |
C12—N3—C11—C10 | 28.0 (4) | O2—Zn1—O3—C28 | 6.1 (4) |
C19—N3—C11—C10 | 149.0 (3) | O1—Zn1—O3—C28 | 103.0 (4) |
Zn2—N3—C11—C10 | −95.8 (3) | N1—Zn1—O3—C28 | −160.5 (4) |
N2—C10—C11—N3 | −0.7 (4) | N2—Zn1—O3—C28 | −80.0 (4) |
C11—N3—C12—N2 | −44.8 (3) | O3—C28—O4—Zn2 | −7.1 (7) |
C19—N3—C12—N2 | −166.8 (3) | C29—C28—O4—Zn2 | 174.2 (4) |
Zn2—N3—C12—N2 | 79.5 (3) | O2—Zn2—O4—C28 | −7.3 (4) |
C11—N3—C12—C13 | −167.2 (3) | O5—Zn2—O4—C28 | −104.4 (4) |
C19—N3—C12—C13 | 70.8 (4) | N4—Zn2—O4—C28 | 160.6 (4) |
Zn2—N3—C12—C13 | −42.9 (4) | N3—Zn2—O4—C28 | 79.5 (4) |
C9—N2—C12—N3 | 166.8 (3) | C26—C27—O5—Zn2 | 172.0 (3) |
C10—N2—C12—N3 | 43.9 (3) | C22—C27—O5—Zn2 | −9.8 (6) |
Zn1—N2—C12—N3 | −79.0 (3) | O2—Zn2—O5—C27 | 149.1 (3) |
C9—N2—C12—C13 | −70.2 (4) | O4—Zn2—O5—C27 | −100.7 (3) |
C10—N2—C12—C13 | 166.9 (3) | N4—Zn2—O5—C27 | 9.2 (3) |
Zn1—N2—C12—C13 | 44.1 (4) | N3—Zn2—O5—C27 | 66.1 (6) |
D—H···A | D—H | H···A | D···A | D—H···A |
C8—H8B···O7i | 0.97 | 2.41 | 3.259 (8) | 145 |
C12—H12···O8ii | 0.98 | 2.52 | 3.482 (5) | 169 |
O6—H6B···O5iii | 0.85 | 2.06 | 2.804 (4) | 146 |
O6—H6A···O1iii | 0.88 | 2.05 | 2.896 (4) | 161 |
O7—H7A···O4 | 0.85 | 2.15 | 2.971 (8) | 162 |
O7—H7B···O1iv | 0.86 | 2.48 | 3.225 (9) | 145 |
O8—H8···O6 | 0.82 | 1.91 | 2.701 (5) | 163 |
O9—H9···O8ii | 0.82 | 2.08 | 2.849 (9) | 157 |
Symmetry codes: (i) x, y−1, z; (ii) −x+1, −y+1, −z+1; (iii) −x, −y+1, −z+1; (iv) −x, −y+1, −z. |
Experimental details
Crystal data | |
Chemical formula | [Zn2(C27H27N4O3)(C2H3O2)]·2CH6O·2H2O |
Mr | 773.48 |
Crystal system, space group | Triclinic, P1 |
Temperature (K) | 298 |
a, b, c (Å) | 10.140 (3), 11.540 (4), 16.066 (5) |
α, β, γ (°) | 91.972 (6), 93.944 (5), 110.833 (5) |
V (Å3) | 1749.4 (10) |
Z | 2 |
Radiation type | Mo Kα |
µ (mm−1) | 1.43 |
Crystal size (mm) | 0.22 × 0.20 × 0.03 |
Data collection | |
Diffractometer | SMART 1K CCD diffractometer |
Absorption correction | Multi-scan (SADABS;Bruker, 2000) |
Tmin, Tmax | 0.744, 0.958 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 8975, 5943, 4785 |
Rint | 0.018 |
(sin θ/λ)max (Å−1) | 0.595 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.045, 0.151, 1.09 |
No. of reflections | 5943 |
No. of parameters | 437 |
No. of restraints | 14 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.82, −0.60 |
Computer programs: SMART (Bruker, 2000), SAINT (Bruker, 2000), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL/PC (Sheldrick, 2008).
Zn1—O2 | 1.984 (2) | Zn2—O2 | 1.987 (2) |
Zn1—O3 | 1.984 (3) | Zn2—O4 | 1.987 (3) |
Zn1—O1 | 1.986 (3) | Zn2—O5 | 1.991 (3) |
Zn1—N1 | 2.011 (3) | Zn2—N4 | 2.019 (3) |
Zn1—N2 | 2.407 (3) | Zn2—N3 | 2.386 (3) |
D—H···A | D—H | H···A | D···A | D—H···A |
C8—H8B···O7i | 0.97 | 2.41 | 3.259 (8) | 145 |
C12—H12···O8ii | 0.98 | 2.52 | 3.482 (5) | 169 |
O6—H6B···O5iii | 0.85 | 2.06 | 2.804 (4) | 146 |
O6—H6A···O1iii | 0.88 | 2.05 | 2.896 (4) | 161 |
O7—H7A···O4 | 0.85 | 2.15 | 2.971 (8) | 162 |
O7—H7B···O1iv | 0.86 | 2.48 | 3.225 (9) | 145 |
O8—H8···O6 | 0.82 | 1.91 | 2.701 (5) | 163 |
O9—H9···O8ii | 0.82 | 2.08 | 2.849 (9) | 157 |
Symmetry codes: (i) x, y−1, z; (ii) −x+1, −y+1, −z+1; (iii) −x, −y+1, −z+1; (iv) −x, −y+1, −z. |
Acknowledgements
The authors acknowledge the National and Shanxi Provincial Natural Science Foundation of China (grant Nos. 20471033 and 20051013) as well as the Overseas Returned Scholar Foundation of Shanxi Province of China in 2008 for financial support.
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In earlier studies of binuclear and tetranuclear complexes of a heptadentate Schiff base, 2-(2-hydroxyphenyl)-1,3-bis[4-(2-hydroxyphenyl)-3-azabut-3-enyl]- 1,3-imidazolidine (H3L), researchers reported attractive results, such as fixed atmospheric carbon dioxide (Fondo et al., 2002), magnetic properties (Fondo et al., 2004; Prasant Kumar et al., 2006). As part of our own work, the title complex, (I), has been syhtheszed in order to study its inhibiting activity on protein tyrosine phosphatase 1B (PTP1B), and its crystal structure is presented here.
The Zn—N and Zn—O distances and bond anges around two metal ions are in the normal range (Table 1). The molecular structure is illustrated in Fig. 1. Binuclear phenolic Schiff base complex (I) consists of Zn2L(OOCCH3) units with ethanol and water as solvates. Each zinc atom is coordinated by two N atoms and three O atoms from the heptadentate Schiff base ligand and an acetate. The intermetallic separation is 3.229 (2) Å shorter than that in Zn2L(OOCCH3).methanol.2H2O (Fondo et al., 2002). Two zinc ions are linked by dibridges with one phenol oxygen atom of the ligand and another bidentate acetate group.