Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807053159/hg2326sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536807053159/hg2326Isup2.hkl |
CCDC reference: 672570
The reaction of ZnCl2(0.68 g, 5 mmol) with o-phthalic acid (0.83 g, 5 mmol) in an aqueous-alcohol (3:1) solution (40 ml) at 363 K for 30 minutes produced a blue solution, to which 1-ethylimidazole (0.95 g,10 mmol) was added. The reaction solution was kept at room temperature after stirring for an hour at 333 K. colorless crystals were obtained after a few days.
H atoms were positioned geometrically(C—H = 0.93–0.97 Å) and allowed to ride on their parent atoms with Uiso(H) = 1.2 times Ueq(C).
Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT (Bruker, 2001); program(s) used to solve structure: SHELXTL (Sheldrick, 2001); program(s) used to refine structure: SHELXTL (Sheldrick, 2001); molecular graphics: SHELXTL (Sheldrick, 2001); software used to prepare material for publication: SHELXTL (Sheldrick, 2001 and local programs.
[Zn(C8H4O4)(C5H8N2)2] | F(000) = 864 |
Mr = 419.75 | Dx = 1.450 Mg m−3 |
Orthorhombic, Pca21 | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: P 2c -2ac | Cell parameters from 3025 reflections |
a = 10.209 (2) Å | θ = 2.5–25.1° |
b = 13.870 (3) Å | µ = 1.31 mm−1 |
c = 13.583 (3) Å | T = 293 K |
V = 1923.3 (7) Å3 | Block, colorless |
Z = 4 | 0.40 × 0.10 × 0.10 mm |
Bruker SMART 1K CCD area-detector diffractometer | 2125 independent reflections |
Radiation source: fine-focus sealed tube | 1404 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.012 |
thin–slice ω scans | θmax = 26.0°, θmin = 1.5° |
Absorption correction: multi-scan (SADABS; Sheldrick, 2004) | h = 0→12 |
Tmin = 0.623, Tmax = 0.880 | k = 0→17 |
2616 measured reflections | l = 0→16 |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.060 | H-atom parameters constrained |
wR(F2) = 0.183 | w = 1/[σ2(Fo2) + (0.0962P)2 + 2.22P] where P = (Fo2 + 2Fc2)/3 |
S = 1.02 | (Δ/σ)max = 0.006 |
2125 reflections | Δρmax = 0.73 e Å−3 |
186 parameters | Δρmin = −0.91 e Å−3 |
62 restraints | Absolute structure: Flack (1983), 145 Friedel pairs |
Primary atom site location: structure-invariant direct methods | Absolute structure parameter: 0.02 (5) |
[Zn(C8H4O4)(C5H8N2)2] | V = 1923.3 (7) Å3 |
Mr = 419.75 | Z = 4 |
Orthorhombic, Pca21 | Mo Kα radiation |
a = 10.209 (2) Å | µ = 1.31 mm−1 |
b = 13.870 (3) Å | T = 293 K |
c = 13.583 (3) Å | 0.40 × 0.10 × 0.10 mm |
Bruker SMART 1K CCD area-detector diffractometer | 2125 independent reflections |
Absorption correction: multi-scan (SADABS; Sheldrick, 2004) | 1404 reflections with I > 2σ(I) |
Tmin = 0.623, Tmax = 0.880 | Rint = 0.012 |
2616 measured reflections |
R[F2 > 2σ(F2)] = 0.060 | H-atom parameters constrained |
wR(F2) = 0.183 | Δρmax = 0.73 e Å−3 |
S = 1.02 | Δρmin = −0.91 e Å−3 |
2125 reflections | Absolute structure: Flack (1983), 145 Friedel pairs |
186 parameters | Absolute structure parameter: 0.02 (5) |
62 restraints |
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 | ||
Zn | 0.19333 (9) | 0.74668 (7) | 0.75914 (15) | 0.0293 (3) | |
O1 | 0.3715 (7) | 0.7223 (5) | 0.5888 (5) | 0.0359 (16) | |
O2 | 0.3432 (6) | 0.8244 (5) | 0.7131 (5) | 0.0346 (15) | |
O3 | 0.1449 (7) | 0.8235 (5) | 0.8761 (5) | 0.0406 (17) | |
O4 | −0.0256 (8) | 0.7258 (5) | 0.8876 (6) | 0.0401 (17) | |
N1 | 0.2555 (9) | 0.6214 (5) | 0.8137 (7) | 0.0377 (17) | |
N2 | 0.3722 (10) | 0.4877 (7) | 0.8343 (9) | 0.060 | |
N3 | 0.0552 (7) | 0.7507 (5) | 0.6519 (7) | 0.0294 (17) | |
N4 | −0.1320 (9) | 0.7819 (7) | 0.5765 (9) | 0.055 | |
C1 | 0.4036 (12) | 0.4780 (9) | 1.0816 (11) | 0.060 | |
H1A | 0.3777 | 0.4604 | 1.1471 | 0.090* | |
H1B | 0.4203 | 0.5461 | 1.0790 | 0.090* | |
H1C | 0.4817 | 0.4435 | 1.0640 | 0.090* | |
C2 | 0.2942 (11) | 0.4526 (9) | 1.0096 (10) | 0.055 | |
H2B | 0.3016 | 0.3847 | 0.9935 | 0.066* | |
H2C | 0.2110 | 0.4616 | 1.0429 | 0.066* | |
C3 | 0.2910 (10) | 0.5061 (7) | 0.9196 (9) | 0.041 | |
C4 | 0.3455 (9) | 0.5592 (7) | 0.7707 (9) | 0.045 | |
H4B | 0.3814 | 0.5660 | 0.7082 | 0.054* | |
C5 | 0.2333 (10) | 0.5884 (7) | 0.9032 (8) | 0.042 (2) | |
H5A | 0.1822 | 0.6204 | 0.9495 | 0.051* | |
C6 | −0.1131 (13) | 0.7339 (10) | 0.3451 (11) | 0.062 (3) | |
H6A | −0.0954 | 0.7436 | 0.2764 | 0.093* | |
H6B | −0.2057 | 0.7378 | 0.3564 | 0.093* | |
H6C | −0.0819 | 0.6715 | 0.3647 | 0.093* | |
C7 | −0.0448 (12) | 0.8101 (8) | 0.4040 (8) | 0.049 (3) | |
H7A | 0.0423 | 0.8196 | 0.3771 | 0.059* | |
H7B | −0.0922 | 0.8703 | 0.3968 | 0.059* | |
C8 | −0.0330 (10) | 0.7880 (7) | 0.5088 (8) | 0.036 | |
C9 | 0.0760 (10) | 0.7683 (6) | 0.5575 (8) | 0.035 (2) | |
H9A | 0.1585 | 0.7670 | 0.5285 | 0.042* | |
C10 | −0.0729 (10) | 0.7633 (8) | 0.6662 (9) | 0.045 (3) | |
H10A | −0.1156 | 0.7600 | 0.7266 | 0.054* | |
C11 | 0.3983 (9) | 0.7972 (6) | 0.6299 (7) | 0.031 (2) | |
C12 | 0.0351 (9) | 0.7984 (7) | 0.9131 (7) | 0.031 | |
C13 | −0.0231 (8) | 0.8647 (5) | 0.9879 (6) | 0.021 | |
C14 | −0.1150 (10) | 0.9321 (7) | 0.9505 (8) | 0.042 (2) | |
H14A | −0.1335 | 0.9334 | 0.8835 | 0.050* | |
C15 | −0.1767 (11) | 0.9953 (8) | 1.0126 (10) | 0.054 (3) | |
H15A | −0.2393 | 1.0377 | 0.9881 | 0.065* | |
C16 | −0.1455 (12) | 0.9963 (9) | 1.1132 (10) | 0.056 | |
H16A | −0.1861 | 1.0399 | 1.1553 | 0.067* | |
C17 | −0.0560 (10) | 0.9333 (7) | 1.1485 (7) | 0.039 (2) | |
H17A | −0.0359 | 0.9345 | 1.2153 | 0.046* | |
C18 | 0.0063 (8) | 0.8675 (6) | 1.0892 (7) | 0.0271 (18) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Zn | 0.0352 (5) | 0.0290 (5) | 0.0237 (5) | 0.0015 (4) | −0.0025 (6) | 0.0013 (5) |
O1 | 0.046 (4) | 0.032 (3) | 0.030 (4) | −0.010 (3) | 0.009 (3) | −0.004 (3) |
O2 | 0.047 (4) | 0.042 (4) | 0.015 (3) | −0.002 (3) | 0.003 (3) | 0.004 (3) |
O3 | 0.053 (4) | 0.037 (4) | 0.032 (4) | 0.001 (3) | 0.009 (3) | −0.004 (3) |
O4 | 0.051 (5) | 0.041 (4) | 0.029 (4) | −0.010 (3) | −0.006 (4) | −0.009 (3) |
N1 | 0.038 (4) | 0.040 (4) | 0.035 (4) | 0.003 (3) | 0.001 (4) | −0.001 (3) |
N2 | 0.060 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 |
N3 | 0.022 (4) | 0.037 (4) | 0.029 (5) | 0.001 (3) | −0.003 (3) | −0.002 (3) |
N4 | 0.055 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 |
C1 | 0.060 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 |
C2 | 0.055 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 |
C3 | 0.041 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 |
C4 | 0.045 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 |
C5 | 0.042 (5) | 0.044 (4) | 0.041 (5) | 0.004 (4) | −0.002 (4) | 0.004 (4) |
C6 | 0.064 (7) | 0.087 (7) | 0.035 (6) | −0.005 (5) | 0.000 (5) | −0.011 (5) |
C7 | 0.047 (5) | 0.059 (6) | 0.041 (5) | 0.000 (5) | 0.001 (5) | 0.004 (5) |
C8 | 0.036 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 |
C9 | 0.030 (5) | 0.044 (5) | 0.030 (6) | 0.000 (4) | −0.004 (4) | 0.011 (4) |
C10 | 0.029 (5) | 0.079 (8) | 0.027 (6) | 0.004 (5) | 0.003 (4) | 0.004 (5) |
C11 | 0.043 (5) | 0.024 (4) | 0.026 (5) | −0.004 (4) | −0.004 (4) | 0.012 (4) |
C12 | 0.031 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 |
C13 | 0.021 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 |
C14 | 0.055 (6) | 0.034 (5) | 0.036 (6) | 0.006 (5) | −0.001 (5) | 0.012 (4) |
C15 | 0.062 (7) | 0.031 (5) | 0.070 (9) | 0.011 (5) | −0.014 (6) | 0.005 (6) |
C16 | 0.056 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 |
C17 | 0.054 (6) | 0.039 (5) | 0.023 (5) | 0.002 (4) | 0.004 (5) | 0.000 (4) |
C18 | 0.029 (4) | 0.034 (4) | 0.019 (4) | −0.003 (3) | −0.007 (4) | 0.000 (4) |
Zn—O2 | 1.974 (6) | C5—H5A | 0.9300 |
Zn—O3 | 1.976 (7) | C6—C7 | 1.498 (18) |
Zn—N1 | 1.993 (8) | C6—H6A | 0.9600 |
Zn—N3 | 2.028 (8) | C6—H6B | 0.9600 |
O1—C11 | 1.211 (12) | C6—H6C | 0.9600 |
O2—C11 | 1.318 (12) | C7—C8 | 1.461 (16) |
O3—C12 | 1.277 (12) | C7—H7A | 0.9700 |
O4—C12 | 1.232 (12) | C7—H7B | 0.9700 |
N1—C5 | 1.318 (14) | C8—C9 | 1.322 (14) |
N1—C4 | 1.389 (13) | C9—H9A | 0.9300 |
N2—C4 | 1.343 (15) | C10—H10A | 0.9300 |
N2—C3 | 1.448 (16) | C11—C18i | 1.485 (12) |
N3—C9 | 1.323 (14) | C12—C13 | 1.493 (12) |
N3—C10 | 1.333 (14) | C13—C18 | 1.409 (12) |
N4—C8 | 1.369 (14) | C13—C14 | 1.419 (13) |
N4—C10 | 1.384 (15) | C14—C15 | 1.370 (17) |
C1—C2 | 1.526 (17) | C14—H14A | 0.9300 |
C1—H1A | 0.9600 | C15—C16 | 1.403 (18) |
C1—H1B | 0.9600 | C15—H15A | 0.9300 |
C1—H1C | 0.9600 | C16—C17 | 1.352 (15) |
C2—C3 | 1.430 (17) | C16—H16A | 0.9300 |
C2—H2B | 0.9700 | C17—C18 | 1.374 (13) |
C2—H2C | 0.9700 | C17—H17A | 0.9300 |
C3—C5 | 1.305 (14) | C18—C11ii | 1.485 (12) |
C4—H4B | 0.9300 | ||
O2—Zn—O3 | 98.9 (3) | H6A—C6—H6C | 109.5 |
O2—Zn—N1 | 110.3 (3) | H6B—C6—H6C | 109.5 |
O3—Zn—N1 | 104.5 (3) | C8—C7—C6 | 114.3 (10) |
O2—Zn—N3 | 107.2 (3) | C8—C7—H7A | 108.7 |
O3—Zn—N3 | 112.9 (3) | C6—C7—H7A | 108.7 |
N1—Zn—N3 | 120.8 (3) | C8—C7—H7B | 108.7 |
C11—O2—Zn | 116.5 (6) | C6—C7—H7B | 108.7 |
C12—O3—Zn | 112.9 (6) | H7A—C7—H7B | 107.6 |
C5—N1—C4 | 106.6 (9) | C9—C8—N4 | 105.8 (10) |
C5—N1—Zn | 126.2 (7) | C9—C8—C7 | 126.9 (10) |
C4—N1—Zn | 126.6 (7) | N4—C8—C7 | 127.3 (10) |
C4—N2—C3 | 105.6 (9) | C8—C9—N3 | 112.8 (10) |
C9—N3—C10 | 105.9 (9) | C8—C9—H9A | 123.6 |
C9—N3—Zn | 126.1 (7) | N3—C9—H9A | 123.6 |
C10—N3—Zn | 125.5 (8) | N3—C10—N4 | 108.9 (10) |
C8—N4—C10 | 106.3 (9) | N3—C10—H10A | 125.5 |
C2—C1—H1A | 109.5 | N4—C10—H10A | 125.5 |
C2—C1—H1B | 109.5 | O1—C11—O2 | 123.0 (8) |
H1A—C1—H1B | 109.5 | O1—C11—C18i | 122.7 (9) |
C2—C1—H1C | 109.5 | O2—C11—C18i | 114.3 (8) |
H1A—C1—H1C | 109.5 | O4—C12—O3 | 123.6 (9) |
H1B—C1—H1C | 109.5 | O4—C12—C13 | 119.6 (8) |
C3—C2—C1 | 116.4 (10) | O3—C12—C13 | 116.7 (8) |
C3—C2—H2B | 108.2 | C18—C13—C14 | 118.2 (8) |
C1—C2—H2B | 108.2 | C18—C13—C12 | 126.6 (8) |
C3—C2—H2C | 108.2 | C14—C13—C12 | 115.2 (8) |
C1—C2—H2C | 108.2 | C15—C14—C13 | 120.4 (10) |
H2B—C2—H2C | 107.3 | C15—C14—H14A | 119.8 |
C5—C3—C2 | 127.6 (11) | C13—C14—H14A | 119.8 |
C5—C3—N2 | 106.0 (10) | C14—C15—C16 | 120.1 (11) |
C2—C3—N2 | 125.5 (10) | C14—C15—H15A | 120.0 |
N2—C4—N1 | 108.8 (10) | C16—C15—H15A | 120.0 |
N2—C4—H4B | 125.6 | C17—C16—C15 | 119.5 (12) |
N1—C4—H4B | 125.6 | C17—C16—H16A | 120.2 |
C3—C5—N1 | 112.6 (10) | C15—C16—H16A | 120.2 |
C3—C5—H5A | 123.7 | C16—C17—C18 | 122.3 (10) |
N1—C5—H5A | 123.7 | C16—C17—H17A | 118.9 |
C7—C6—H6A | 109.5 | C18—C17—H17A | 118.9 |
C7—C6—H6B | 109.5 | C17—C18—C13 | 119.5 (8) |
H6A—C6—H6B | 109.5 | C17—C18—C11ii | 121.4 (8) |
C7—C6—H6C | 109.5 | C13—C18—C11ii | 119.0 (8) |
O3—Zn—O2—C11 | −176.2 (6) | C10—N4—C8—C7 | −177.7 (11) |
N1—Zn—O2—C11 | 74.6 (7) | C6—C7—C8—C9 | 111.4 (13) |
N3—Zn—O2—C11 | −58.8 (6) | C6—C7—C8—N4 | −67.4 (15) |
O2—Zn—O3—C12 | 169.3 (6) | N4—C8—C9—N3 | −0.6 (12) |
N1—Zn—O3—C12 | −76.9 (7) | C7—C8—C9—N3 | −179.6 (10) |
N3—Zn—O3—C12 | 56.3 (7) | C10—N3—C9—C8 | −2.5 (12) |
O2—Zn—N1—C5 | 122.8 (9) | Zn—N3—C9—C8 | −165.5 (7) |
O3—Zn—N1—C5 | 17.4 (9) | C9—N3—C10—N4 | 4.5 (12) |
N3—Zn—N1—C5 | −111.1 (9) | Zn—N3—C10—N4 | 167.7 (7) |
O2—Zn—N1—C4 | −47.0 (9) | C8—N4—C10—N3 | −4.9 (13) |
O3—Zn—N1—C4 | −152.4 (8) | Zn—O2—C11—O1 | −9.0 (12) |
N3—Zn—N1—C4 | 79.1 (9) | Zn—O2—C11—C18i | 169.3 (6) |
O2—Zn—N3—C9 | 23.5 (8) | Zn—O3—C12—O4 | 9.5 (12) |
O3—Zn—N3—C9 | 131.3 (7) | Zn—O3—C12—C13 | −167.5 (6) |
N1—Zn—N3—C9 | −104.1 (8) | O4—C12—C13—C18 | 99.1 (12) |
O2—Zn—N3—C10 | −136.4 (8) | O3—C12—C13—C18 | −83.8 (11) |
O3—Zn—N3—C10 | −28.6 (9) | O4—C12—C13—C14 | −82.3 (11) |
N1—Zn—N3—C10 | 96.1 (9) | O3—C12—C13—C14 | 94.9 (10) |
C1—C2—C3—C5 | −87.3 (16) | C18—C13—C14—C15 | −2.5 (14) |
C1—C2—C3—N2 | 80.3 (15) | C12—C13—C14—C15 | 178.7 (9) |
C4—N2—C3—C5 | −5.0 (13) | C13—C14—C15—C16 | 2.4 (17) |
C4—N2—C3—C2 | −174.8 (10) | C14—C15—C16—C17 | −1.1 (18) |
C3—N2—C4—N1 | 1.7 (12) | C15—C16—C17—C18 | −0.1 (17) |
C5—N1—C4—N2 | 2.2 (12) | C16—C17—C18—C13 | 0.0 (15) |
Zn—N1—C4—N2 | 173.6 (7) | C16—C17—C18—C11ii | −178.3 (9) |
C2—C3—C5—N1 | 176.2 (10) | C14—C13—C18—C17 | 1.3 (13) |
N2—C3—C5—N1 | 6.8 (13) | C12—C13—C18—C17 | 179.9 (8) |
C4—N1—C5—C3 | −5.8 (12) | C14—C13—C18—C11ii | 179.6 (8) |
Zn—N1—C5—C3 | −177.2 (7) | C12—C13—C18—C11ii | −1.7 (13) |
C10—N4—C8—C9 | 3.3 (12) |
Symmetry codes: (i) −x+1/2, y, z−1/2; (ii) −x+1/2, y, z+1/2. |
D—H···A | D—H | H···A | D···A | D—H···A |
C5—H5A···O1ii | 0.93 | 2.42 | 3.309 (13) | 159 |
C7—H7A···O2i | 0.97 | 2.52 | 3.317 (13) | 140 |
C9—H9A···O1 | 0.93 | 2.41 | 3.113 (12) | 133 |
C10—H10A···O4 | 0.93 | 2.42 | 3.090 (15) | 129 |
C16—H16A···O2iii | 0.93 | 2.59 | 3.478 (14) | 159 |
Symmetry codes: (i) −x+1/2, y, z−1/2; (ii) −x+1/2, y, z+1/2; (iii) −x, −y+2, z+1/2. |
Experimental details
Crystal data | |
Chemical formula | [Zn(C8H4O4)(C5H8N2)2] |
Mr | 419.75 |
Crystal system, space group | Orthorhombic, Pca21 |
Temperature (K) | 293 |
a, b, c (Å) | 10.209 (2), 13.870 (3), 13.583 (3) |
V (Å3) | 1923.3 (7) |
Z | 4 |
Radiation type | Mo Kα |
µ (mm−1) | 1.31 |
Crystal size (mm) | 0.40 × 0.10 × 0.10 |
Data collection | |
Diffractometer | Bruker SMART 1K CCD area-detector diffractometer |
Absorption correction | Multi-scan (SADABS; Sheldrick, 2004) |
Tmin, Tmax | 0.623, 0.880 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 2616, 2125, 1404 |
Rint | 0.012 |
(sin θ/λ)max (Å−1) | 0.617 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.060, 0.183, 1.02 |
No. of reflections | 2125 |
No. of parameters | 186 |
No. of restraints | 62 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.73, −0.91 |
Absolute structure | Flack (1983), 145 Friedel pairs |
Absolute structure parameter | 0.02 (5) |
Computer programs: SMART (Bruker, 2001), SAINT (Bruker, 2001), SHELXTL (Sheldrick, 2001), SHELXTL (Sheldrick, 2001 and local programs.
Zn—O2 | 1.974 (6) | O1—C11 | 1.211 (12) |
Zn—O3 | 1.976 (7) | O2—C11 | 1.318 (12) |
Zn—N1 | 1.993 (8) | O3—C12 | 1.277 (12) |
Zn—N3 | 2.028 (8) | O4—C12 | 1.232 (12) |
D—H···A | D—H | H···A | D···A | D—H···A |
C5—H5A···O1i | 0.93 | 2.42 | 3.309 (13) | 158.9 |
C7—H7A···O2ii | 0.97 | 2.52 | 3.317 (13) | 139.7 |
C9—H9A···O1 | 0.93 | 2.41 | 3.113 (12) | 133 |
C10—H10A···O4 | 0.93 | 2.42 | 3.090 (15) | 129 |
C16—H16A···O2iii | 0.93 | 2.59 | 3.478 (14) | 159.0 |
Symmetry codes: (i) −x+1/2, y, z+1/2; (ii) −x+1/2, y, z−1/2; (iii) −x, −y+2, z+1/2. |
In the title compound,(I)(Fig. 1), The zinc(II) centers are bridged by the carboxylate group of o-phthalate and saturated by 1-ethylimidazole. Each ZnII ion is coordinated by two N [Zn—N1 = 1.993 (8), Zn—N3 = 2.028 (8) Å] and two O [Zn—O2 = 1.974 (6), Zn—O3 = 1.976 (7) Å] atoms in a distorted tetrahedral geometry. All these values agree well with those observed in [Zn(phthalato)(1-H-imidazole)2] (Liu et al., 2002). Each o-phthalate dianion acts as a bidentate ligand to bridge two ZnII atoms through two monodentate carboxylate groups, building a zigzag infinite chain structure alonge the c axis. The metal-metal distances across each polymer backbone are 6.889 (3) Å. In the crystal, Weak C—H···O interactions contribute to the crystal packing stability.