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Acta Cryst. (2007). E63, m2926    [ doi:10.1107/S1600536807054608 ]

Bis[6-(3,5-dimethyl-1H-pyrazol-1-yl-[kappa]N2)picolinato-[kappa]2N,O]zinc(II) trihydrate

X.-H. Yin, K. Zhao, Y. Feng and J. Zhu

Abstract top

In the title compound, [Zn(C11H10N3O2)2]·3H2O, the ZnII atom is coordinated by four N and two O atoms in a distorted octahedral geometry. One water molecule is disordered equally over two positions.

Comment top

In recent years, there has been an increasing interest in the coordination chemistry due to the increased recognition of it's role in catalysis enzymatic reactions, magnetism and molecular architectures (Costamagna et al., 1992; Bhatia et al., 1981). We report here the crystal structure of a new zinc(II) complex with the ligand 6- (3,5-dimethyl-1H-pyrazol-1-yl) picolinic acid(DPPA)·(I) (Fig.1).

The title compound, (I), consists of a zinc(II) complex cation and three uncoordinated water molecules. In the cation(Fig. 1), the Co atom is six-coordinated by four N atoms and two O atoms from two DPPA ligands. The Zn(II) atom is a slightly distorted octahedral environment. The Zn—O bond length is 2.109 (3) and 2.122 (3) Å,The Zn—N distances range from 2.077 (3) to 2.219 (3) Å, i.e. normal values. The C1—C2 bond length is 1.528 (5) Å, being in the normal C—C ranges in cobaltcarboxylate complexes·The angles around Zn(II) atom are from 73.01 (10) to 177.31 (10)°. The DPPA molecule acts as a bidentate ligand.

Related literature top

For related literature, see: Bhatia et al. (1981); Costamagna et al. (1992).

Experimental top

6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinic acid, and ZnCl2. 6H2O were available commercially and were used without further purification. Equimolar 6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinic acid (1 mmol, 217 mg) was dissolved in anhydrous alcohol (15 ml). The mixture was stirred to give a clear solution, To this solution was added ZnCl2·6H2O (0.5 mmol, 119 mg) in anhydrous alcohol (10 ml). After keeping the resulting solution in air to evaporate about half of the solvents, dark red prisms of the title compound were formed. The crystals were isolated, washed with alcohol three times and dried in a vacuum desiccator using silica gel (Yield 75%). Elemental analysis: found: C, 47.78; H, 4.85; N, 15.13; O, 20.39; calc. for C22H26ZnN6O7: C, 47.88; H, 4.75; N, 15.23; O, 20.29

Refinement top

All the H atoms were placed in geometrically idealized positions and constrained to ride on their parent atoms with N—H and C—H distances of 0.90 Å and 0.96 Å, respectively. They were treated as riding atoms, with Uiso(H) = 1.2Ueq(C), Uiso(H) = 1.2Ueq(N) and Uiso(H) = 1.5Ueq(O).

Computing details top

Data collection: SMART (Siemens, 1996); cell refinement: SMART (Siemens, 1996); data reduction: SAINT (Siemens, 1996); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL (Sheldrick, 1997b).

Figures top
[Figure 1] Fig. 1. The structure of the title compound (I) showing 50% probability displacement ellipsoids and the atom-numbering scheme.
[Figure 2] Fig. 2. Crystal packing of (I) showing the hydrogen bonded interactions as dashed lines.
Bis[6-(3,5-dimethyl-1H-pyrazol-1-yl-κN2)picolinato-κ2N,O]zinc(II) trihydrate top
Crystal data top
[Zn(C11H10N3O2)2]·3H2O1Z = 2
Mr = 551.86F000 = 572
Triclinic, P1Dx = 1.490 Mg m−3
a = 9.8071 (9) ÅMo Kα radiation
λ = 0.71073 Å
b = 10.8388 (12) ÅCell parameters from 3006 reflections
c = 12.6766 (16) Åθ = 2.2–25.9º
α = 71.334 (2)ºµ = 1.05 mm−1
β = 74.505 (2)ºT = 298 (2) K
γ = 84.772 (3)ºBlock, colorless
V = 1230.2 (2) Å30.50 × 0.48 × 0.34 mm
Data collection top
Bruker SMART CCD area-detector
diffractometer		4251 independent reflections
Radiation source: fine-focus sealed tube3192 reflections with I > 2σ(I)
Monochromator: graphiteRint = 0.021
T = 298(2) Kθmax = 25.0º
phi and ω scansθmin = 1.8º
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)		h = −11→11
Tmin = 0.621, Tmax = 0.716k = −12→12
6315 measured reflectionsl = −15→12
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.042H-atom parameters constrained
wR(F2) = 0.125  w = 1/[σ2(Fo2) + (0.0638P)2 + 0.5328P]
where P = (Fo2 + 2Fc2)/3
S = 1.04(Δ/σ)max = 0.001
4251 reflectionsΔρmax = 0.50 e Å−3
334 parametersΔρmin = −0.38 e Å−3
Primary atom site location: structure-invariant direct methodsExtinction correction: none
Crystal data top
[Zn(C11H10N3O2)2]·3H2O1γ = 84.772 (3)º
Mr = 551.86V = 1230.2 (2) Å3
Triclinic, P1Z = 2
a = 9.8071 (9) ÅMo Kα
b = 10.8388 (12) ŵ = 1.05 mm−1
c = 12.6766 (16) ÅT = 298 (2) K
α = 71.334 (2)º0.50 × 0.48 × 0.34 mm
β = 74.505 (2)º
Data collection top
Bruker SMART CCD area-detector
diffractometer		4251 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)		3192 reflections with I > 2σ(I)
Tmin = 0.621, Tmax = 0.716Rint = 0.021
6315 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.042334 parameters
wR(F2) = 0.125H-atom parameters constrained
S = 1.04Δρmax = 0.50 e Å−3
4251 reflectionsΔρmin = −0.38 e Å−3
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Zn10.78562 (4)0.71982 (4)0.72699 (4)0.04776 (17)
N10.8809 (3)0.8979 (2)0.6879 (2)0.0383 (6)
N21.0937 (3)0.8039 (3)0.6297 (2)0.0415 (6)
N31.0155 (3)0.6935 (3)0.6573 (2)0.0432 (7)
N40.6810 (3)0.5449 (2)0.7692 (2)0.0382 (6)
N50.7234 (3)0.4926 (3)0.9470 (2)0.0445 (7)
N60.7831 (3)0.6137 (3)0.9073 (3)0.0500 (7)
O10.6140 (3)0.8407 (3)0.7764 (3)0.0775 (9)
O20.5565 (3)1.0410 (3)0.7860 (3)0.0882 (10)
O30.7335 (3)0.7301 (3)0.5734 (2)0.0631 (7)
O40.6151 (3)0.6316 (3)0.4964 (2)0.0604 (7)
O50.6801 (4)0.8398 (4)0.2929 (3)0.1290 (17)
H5A0.65570.77710.35480.155*
H5B0.60600.87300.27200.155*
O60.0977 (5)0.0193 (5)0.8593 (4)0.1492 (18)
H6A0.17010.06220.81370.179*
H6B0.1187−0.02450.92160.179*
O70.8467 (7)0.1337 (7)0.9299 (5)0.095 (2)0.50
H7D0.77480.08550.94980.113*0.50
H7E0.92020.09060.90940.113*0.50
O80.6242 (9)0.0134 (8)0.9945 (6)0.131 (3)0.50
H8A0.58920.01900.93860.157*0.50
H8B0.5582−0.00351.05610.157*0.50
C10.6401 (4)0.9559 (4)0.7605 (4)0.0607 (10)
C20.7947 (4)0.9962 (3)0.7060 (3)0.0471 (8)
C30.8450 (5)1.1204 (4)0.6748 (4)0.0624 (11)
H30.78461.18830.68760.075*
C40.9862 (5)1.1418 (4)0.6245 (4)0.0698 (12)
H41.02221.22540.60140.084*
C51.0746 (4)1.0412 (3)0.6078 (3)0.0586 (10)
H51.17091.05490.57450.070*
C61.0172 (3)0.9183 (3)0.6419 (3)0.0401 (7)
C71.3505 (4)0.8774 (4)0.5519 (4)0.0664 (11)
H7A1.44030.83620.53190.100*
H7B1.34750.90970.61470.100*
H7C1.33780.94840.48670.100*
C81.2346 (4)0.7804 (4)0.5869 (3)0.0479 (8)
C91.2439 (4)0.6538 (4)0.5886 (3)0.0542 (9)
H91.32600.60910.56500.065*
C101.1074 (4)0.6037 (3)0.6322 (3)0.0466 (8)
C111.0586 (5)0.4695 (4)0.6528 (4)0.0672 (11)
H11A1.02130.42900.73380.101*
H11B1.13700.41900.62430.101*
H11C0.98620.47420.61350.101*
C120.6603 (3)0.6400 (4)0.5754 (3)0.0475 (8)
C130.6244 (3)0.5298 (3)0.6900 (3)0.0409 (8)
C140.5401 (4)0.4242 (3)0.7133 (3)0.0506 (9)
H140.50270.41280.65700.061*
C150.5132 (4)0.3362 (3)0.8224 (4)0.0581 (10)
H150.45570.26490.84030.070*
C160.5703 (4)0.3526 (3)0.9051 (4)0.0562 (10)
H160.55160.29430.97920.067*
C170.6566 (3)0.4596 (3)0.8736 (3)0.0410 (8)
C180.6907 (5)0.2913 (5)1.1241 (4)0.0839 (15)
H18A0.58920.28881.14550.126*
H18B0.72520.26451.19220.126*
H18C0.72680.23341.07930.126*
C190.7389 (4)0.4274 (4)1.0543 (3)0.0550 (9)
C200.8090 (5)0.5092 (4)1.0815 (4)0.0683 (11)
H200.83590.49211.14990.082*
C210.8344 (4)0.6234 (4)0.9900 (3)0.0586 (10)
C220.9040 (6)0.7455 (5)0.9796 (4)0.0874 (15)
H22A0.95570.78390.90120.131*
H22B0.96780.72511.02860.131*
H22C0.83310.80571.00220.131*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Zn10.0398 (3)0.0390 (2)0.0616 (3)−0.01119 (17)−0.00741 (19)−0.01302 (19)
N10.0382 (15)0.0338 (14)0.0419 (15)−0.0030 (11)−0.0058 (12)−0.0131 (12)
N20.0337 (15)0.0418 (15)0.0484 (17)−0.0082 (12)−0.0060 (12)−0.0147 (13)
N30.0382 (15)0.0382 (15)0.0549 (17)−0.0030 (12)−0.0093 (13)−0.0181 (13)
N40.0299 (14)0.0380 (14)0.0459 (16)−0.0034 (11)−0.0060 (12)−0.0139 (13)
N50.0404 (16)0.0452 (16)0.0454 (17)−0.0098 (13)−0.0081 (13)−0.0104 (13)
N60.0505 (18)0.0460 (17)0.0533 (18)−0.0136 (14)−0.0101 (14)−0.0139 (14)
O10.0384 (15)0.0589 (18)0.116 (3)−0.0053 (13)0.0062 (15)−0.0210 (17)
O20.072 (2)0.077 (2)0.099 (2)0.0321 (17)−0.0020 (18)−0.0289 (18)
O30.0582 (16)0.0646 (17)0.0608 (17)−0.0278 (13)−0.0192 (13)−0.0005 (13)
O40.0574 (16)0.0719 (18)0.0553 (16)−0.0067 (13)−0.0205 (13)−0.0173 (14)
O50.080 (2)0.153 (4)0.115 (3)−0.041 (2)−0.044 (2)0.038 (3)
O60.129 (4)0.166 (5)0.126 (4)−0.039 (3)−0.019 (3)−0.010 (3)
O70.091 (5)0.140 (6)0.073 (4)0.026 (4)−0.025 (4)−0.064 (4)
O80.148 (7)0.145 (7)0.065 (5)0.030 (6)0.015 (5)−0.028 (5)
C10.053 (2)0.054 (2)0.063 (3)0.0125 (19)−0.0038 (19)−0.014 (2)
C20.054 (2)0.0384 (19)0.047 (2)0.0061 (16)−0.0117 (17)−0.0136 (16)
C30.083 (3)0.038 (2)0.070 (3)0.006 (2)−0.020 (2)−0.0228 (19)
C40.086 (3)0.041 (2)0.083 (3)−0.020 (2)−0.014 (3)−0.021 (2)
C50.053 (2)0.050 (2)0.073 (3)−0.0167 (18)−0.006 (2)−0.022 (2)
C60.0387 (18)0.0407 (18)0.0419 (19)−0.0071 (14)−0.0069 (15)−0.0147 (15)
C70.036 (2)0.080 (3)0.070 (3)−0.0162 (19)−0.0033 (18)−0.010 (2)
C80.0353 (19)0.065 (2)0.040 (2)−0.0056 (16)−0.0071 (15)−0.0127 (17)
C90.041 (2)0.066 (3)0.054 (2)0.0098 (18)−0.0102 (17)−0.0214 (19)
C100.046 (2)0.047 (2)0.051 (2)0.0061 (16)−0.0133 (16)−0.0218 (17)
C110.067 (3)0.050 (2)0.091 (3)0.0059 (19)−0.021 (2)−0.032 (2)
C120.0327 (18)0.057 (2)0.053 (2)−0.0024 (16)−0.0107 (16)−0.0168 (17)
C130.0324 (17)0.0436 (18)0.051 (2)0.0008 (14)−0.0089 (15)−0.0212 (16)
C140.048 (2)0.045 (2)0.069 (3)−0.0004 (16)−0.0194 (18)−0.0272 (19)
C150.059 (2)0.0376 (19)0.080 (3)−0.0138 (17)−0.023 (2)−0.0139 (19)
C160.058 (2)0.0375 (19)0.067 (3)−0.0127 (17)−0.0168 (19)−0.0049 (18)
C170.0358 (18)0.0367 (17)0.048 (2)−0.0010 (14)−0.0079 (15)−0.0117 (15)
C180.096 (4)0.083 (3)0.060 (3)−0.036 (3)−0.026 (3)0.011 (2)
C190.051 (2)0.061 (2)0.047 (2)−0.0128 (18)−0.0057 (17)−0.0093 (18)
C200.072 (3)0.086 (3)0.049 (2)−0.018 (2)−0.019 (2)−0.015 (2)
C210.055 (2)0.068 (3)0.058 (2)−0.0155 (19)−0.0137 (19)−0.023 (2)
C220.105 (4)0.082 (3)0.088 (3)−0.035 (3)−0.036 (3)−0.025 (3)
Geometric parameters (Å, °) top
Zn1—N12.077 (3)C4—C51.364 (6)
Zn1—N42.084 (3)C4—H40.9300
Zn1—O32.109 (3)C5—C61.385 (4)
Zn1—O12.122 (3)C5—H50.9300
Zn1—N62.200 (3)C7—C81.498 (5)
Zn1—N32.219 (3)C7—H7A0.9600
N1—C61.315 (4)C7—H7B0.9600
N1—C21.339 (4)C7—H7C0.9600
N2—C81.376 (4)C8—C91.361 (5)
N2—N31.377 (3)C9—C101.392 (5)
N2—C61.420 (4)C9—H90.9300
N3—C101.322 (4)C10—C111.493 (5)
N4—C171.323 (4)C11—H11A0.9600
N4—C131.328 (4)C11—H11B0.9600
N5—C191.359 (5)C11—H11C0.9600
N5—N61.371 (4)C12—C131.534 (5)
N5—C171.416 (4)C13—C141.380 (5)
N6—C211.313 (5)C14—C151.378 (5)
O1—C11.239 (5)C14—H140.9300
O2—C11.240 (5)C15—C161.377 (5)
O3—C121.253 (4)C15—H150.9300
O4—C121.230 (4)C16—C171.387 (5)
O5—H5A0.8500C16—H160.9300
O5—H5B0.8500C18—C191.500 (5)
O6—H6A0.8500C18—H18A0.9600
O6—H6B0.8499C18—H18B0.9600
O7—H7D0.8499C18—H18C0.9600
O7—H7E0.8499C19—C201.346 (6)
O8—H8A0.8500C20—C211.387 (6)
O8—H8B0.8500C20—H200.9300
C1—C21.528 (5)C21—C221.496 (5)
C2—C31.374 (5)C22—H22A0.9600
C3—C41.367 (6)C22—H22B0.9600
C3—H30.9300C22—H22C0.9600
N1—Zn1—N4177.31 (10)H7A—C7—H7B109.5
N1—Zn1—O3103.44 (10)C8—C7—H7C109.5
N4—Zn1—O376.71 (10)H7A—C7—H7C109.5
N1—Zn1—O176.63 (10)H7B—C7—H7C109.5
N4—Zn1—O1100.68 (11)C9—C8—N2106.2 (3)
O3—Zn1—O193.81 (12)C9—C8—C7129.0 (4)
N1—Zn1—N6106.66 (10)N2—C8—C7124.7 (3)
N4—Zn1—N673.18 (10)C8—C9—C10107.1 (3)
O3—Zn1—N6149.89 (10)C8—C9—H9126.5
O1—Zn1—N692.03 (12)C10—C9—H9126.5
N1—Zn1—N373.01 (10)N3—C10—C9110.7 (3)
N4—Zn1—N3109.68 (10)N3—C10—C11120.3 (3)
O3—Zn1—N394.08 (10)C9—C10—C11129.0 (3)
O1—Zn1—N3149.62 (11)C10—C11—H11A109.5
N6—Zn1—N395.67 (11)C10—C11—H11B109.5
C6—N1—C2120.2 (3)H11A—C11—H11B109.5
C6—N1—Zn1123.3 (2)C10—C11—H11C109.5
C2—N1—Zn1116.4 (2)H11A—C11—H11C109.5
C8—N2—N3110.3 (3)H11B—C11—H11C109.5
C8—N2—C6132.7 (3)O4—C12—O3127.0 (3)
N3—N2—C6116.8 (2)O4—C12—C13117.7 (3)
C10—N3—N2105.8 (3)O3—C12—C13115.3 (3)
C10—N3—Zn1140.6 (2)N4—C13—C14121.2 (3)
N2—N3—Zn1113.60 (18)N4—C13—C12113.6 (3)
C17—N4—C13120.8 (3)C14—C13—C12125.2 (3)
C17—N4—Zn1122.4 (2)C15—C14—C13118.1 (3)
C13—N4—Zn1116.4 (2)C15—C14—H14120.9
C19—N5—N6110.9 (3)C13—C14—H14120.9
C19—N5—C17132.4 (3)C16—C15—C14120.8 (3)
N6—N5—C17116.7 (3)C16—C15—H15119.6
C21—N6—N5105.8 (3)C14—C15—H15119.6
C21—N6—Zn1139.6 (3)C15—C16—C17117.4 (3)
N5—N6—Zn1114.1 (2)C15—C16—H16121.3
C1—O1—Zn1117.6 (2)C17—C16—H16121.3
C12—O3—Zn1117.6 (2)N4—C17—C16121.8 (3)
H5A—O5—H5B108.5N4—C17—N5112.9 (3)
H6A—O6—H6B108.5C16—C17—N5125.3 (3)
H7D—O7—H7E108.6C19—C18—H18A109.5
H8A—O8—H8B108.7C19—C18—H18B109.5
O1—C1—O2127.8 (4)H18A—C18—H18B109.5
O1—C1—C2115.7 (3)C19—C18—H18C109.5
O2—C1—C2116.5 (4)H18A—C18—H18C109.5
N1—C2—C3121.2 (3)H18B—C18—H18C109.5
N1—C2—C1113.5 (3)C20—C19—N5105.4 (3)
C3—C2—C1125.3 (3)C20—C19—C18128.3 (4)
C4—C3—C2118.4 (4)N5—C19—C18126.3 (4)
C4—C3—H3120.8C19—C20—C21108.2 (4)
C2—C3—H3120.8C19—C20—H20125.9
C5—C4—C3120.4 (4)C21—C20—H20125.9
C5—C4—H4119.8N6—C21—C20109.7 (3)
C3—C4—H4119.8N6—C21—C22121.4 (4)
C4—C5—C6118.2 (4)C20—C21—C22128.9 (4)
C4—C5—H5120.9C21—C22—H22A109.5
C6—C5—H5120.9C21—C22—H22B109.5
N1—C6—C5121.5 (3)H22A—C22—H22B109.5
N1—C6—N2113.0 (3)C21—C22—H22C109.5
C5—C6—N2125.4 (3)H22A—C22—H22C109.5
C8—C7—H7A109.5H22B—C22—H22C109.5
C8—C7—H7B109.5
N4—Zn1—N1—C6179 (100)O2—C1—C2—N1175.7 (3)
O3—Zn1—N1—C6−88.5 (3)O1—C1—C2—C3175.9 (4)
O1—Zn1—N1—C6−179.2 (3)O2—C1—C2—C3−5.6 (6)
N6—Zn1—N1—C692.7 (3)N1—C2—C3—C40.0 (6)
N3—Zn1—N1—C61.7 (2)C1—C2—C3—C4−178.6 (4)
N4—Zn1—N1—C2−5(2)C2—C3—C4—C5−1.2 (6)
O3—Zn1—N1—C287.9 (2)C3—C4—C5—C60.8 (6)
O1—Zn1—N1—C2−2.8 (2)C2—N1—C6—C5−2.0 (5)
N6—Zn1—N1—C2−90.9 (2)Zn1—N1—C6—C5174.2 (3)
N3—Zn1—N1—C2178.1 (3)C2—N1—C6—N2179.4 (3)
C8—N2—N3—C100.2 (3)Zn1—N1—C6—N2−4.4 (4)
C6—N2—N3—C10176.0 (3)C4—C5—C6—N10.8 (6)
C8—N2—N3—Zn1−179.8 (2)C4—C5—C6—N2179.2 (3)
C6—N2—N3—Zn1−4.1 (3)C8—N2—C6—N1180.0 (3)
N1—Zn1—N3—C10−178.7 (4)N3—N2—C6—N15.4 (4)
N4—Zn1—N3—C101.5 (4)C8—N2—C6—C51.5 (6)
O3—Zn1—N3—C10−75.9 (4)N3—N2—C6—C5−173.1 (3)
O1—Zn1—N3—C10179.5 (3)N3—N2—C8—C9−0.3 (4)
N6—Zn1—N3—C1075.6 (4)C6—N2—C8—C9−175.1 (3)
N1—Zn1—N3—N21.4 (2)N3—N2—C8—C7−177.8 (3)
N4—Zn1—N3—N2−178.5 (2)C6—N2—C8—C77.3 (6)
O3—Zn1—N3—N2104.2 (2)N2—C8—C9—C100.2 (4)
O1—Zn1—N3—N2−0.5 (4)C7—C8—C9—C10177.6 (4)
N6—Zn1—N3—N2−104.3 (2)N2—N3—C10—C9−0.1 (4)
N1—Zn1—N4—C17−84 (2)Zn1—N3—C10—C9−180.0 (3)
O3—Zn1—N4—C17−177.9 (3)N2—N3—C10—C11179.4 (3)
O1—Zn1—N4—C17−86.4 (3)Zn1—N3—C10—C11−0.6 (6)
N6—Zn1—N4—C172.4 (2)C8—C9—C10—N3−0.1 (4)
N3—Zn1—N4—C1792.5 (3)C8—C9—C10—C11−179.5 (4)
N1—Zn1—N4—C1388 (2)Zn1—O3—C12—O4177.0 (3)
O3—Zn1—N4—C13−5.7 (2)Zn1—O3—C12—C13−2.9 (4)
O1—Zn1—N4—C1385.7 (2)C17—N4—C13—C14−0.8 (5)
N6—Zn1—N4—C13174.6 (2)Zn1—N4—C13—C14−173.1 (2)
N3—Zn1—N4—C13−95.3 (2)C17—N4—C13—C12178.3 (3)
C19—N5—N6—C21−0.4 (4)Zn1—N4—C13—C126.0 (3)
C17—N5—N6—C21178.3 (3)O4—C12—C13—N4178.1 (3)
C19—N5—N6—Zn1173.5 (2)O3—C12—C13—N4−2.1 (4)
C17—N5—N6—Zn1−7.7 (3)O4—C12—C13—C14−2.9 (5)
N1—Zn1—N6—C21−8.9 (4)O3—C12—C13—C14177.0 (3)
N4—Zn1—N6—C21173.9 (4)N4—C13—C14—C151.6 (5)
O3—Zn1—N6—C21173.4 (4)C12—C13—C14—C15−177.3 (3)
O1—Zn1—N6—C21−85.5 (4)C13—C14—C15—C16−0.8 (6)
N3—Zn1—N6—C2165.1 (4)C14—C15—C16—C17−0.8 (6)
N1—Zn1—N6—N5−179.8 (2)C13—N4—C17—C16−0.9 (5)
N4—Zn1—N6—N53.0 (2)Zn1—N4—C17—C16170.9 (3)
O3—Zn1—N6—N52.4 (4)C13—N4—C17—N5−179.0 (3)
O1—Zn1—N6—N5103.5 (2)Zn1—N4—C17—N5−7.2 (4)
N3—Zn1—N6—N5−105.9 (2)C15—C16—C17—N41.7 (5)
N1—Zn1—O1—C11.3 (3)C15—C16—C17—N5179.5 (3)
N4—Zn1—O1—C1−178.8 (3)C19—N5—C17—N4−172.0 (3)
O3—Zn1—O1—C1−101.6 (3)N6—N5—C17—N49.6 (4)
N6—Zn1—O1—C1107.9 (3)C19—N5—C17—C1610.0 (6)
N3—Zn1—O1—C13.1 (5)N6—N5—C17—C16−168.4 (3)
N1—Zn1—O3—C12−172.6 (3)N6—N5—C19—C200.1 (4)
N4—Zn1—O3—C124.6 (3)C17—N5—C19—C20−178.4 (4)
O1—Zn1—O3—C12−95.5 (3)N6—N5—C19—C18−178.3 (4)
N6—Zn1—O3—C125.2 (4)C17—N5—C19—C183.2 (7)
N3—Zn1—O3—C12113.9 (3)N5—C19—C20—C210.3 (5)
Zn1—O1—C1—O2−177.9 (4)C18—C19—C20—C21178.6 (4)
Zn1—O1—C1—C20.3 (5)N5—N6—C21—C200.6 (4)
C6—N1—C2—C31.6 (5)Zn1—N6—C21—C20−170.8 (3)
Zn1—N1—C2—C3−174.9 (3)N5—N6—C21—C22−177.8 (4)
C6—N1—C2—C1−179.7 (3)Zn1—N6—C21—C2210.8 (7)
Zn1—N1—C2—C13.8 (4)C19—C20—C21—N6−0.6 (5)
O1—C1—C2—N1−2.7 (5)C19—C20—C21—C22177.7 (4)
Table 1
Selected geometric parameters (Å) top
Zn1—N12.077 (3)Zn1—O12.122 (3)
Zn1—N42.084 (3)Zn1—N62.200 (3)
Zn1—O32.109 (3)Zn1—N32.219 (3)
Acknowledgements top

The authors thank the National Natural Science Foundation of China (20761002) for support. This research was sponsored by the fund of the Talent Highland Research Program of Guangxi University (205121), the Science Foundation of the State Ethnic Affairs Commission (07GX05), the Development Foundation of Guangxi Research Institute of Chemical Industry and the Science Foundation of Guangxi University for Nationlities (0409032, 0409012, 0509ZD047).

references
References top

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