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metal-organic compounds
In the title complex, [Zn(C18H17N2O3)(C2H3O2)(C9H7N)], the ZnII atom is coordinated by two O atoms and one N atom from the tridentate hydrazone ligand, the N atom from the quinoline molecule and one O atom from the acetate group, leading to a distorted trigonal bipyramidal environment for the metal atom. The two O atoms of the deprotonated hydrazone ligand occupy the axial sites. A hydrogen-bonded dimer is formed through intermolecular hydrogen bonds across a center of inversion.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804009808/ng6024sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804009808/ng6024Isup2.hkl |
CCDC reference: 239115
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (C-C) = 0.004 Å
- R factor = 0.045
- wR factor = 0.120
- Data-to-parameter ratio = 17.4
checkCIF/PLATON results
No syntax errors found
Alert level B PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Zn1 - O5 .. 17.43 su
Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for O1 - C7 .. 5.83 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Zn1 - O4 .. 7.62 su PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... O5 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C28
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion
Computing details top
Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.
Crystal data top
[Zn(C18H17N2O3)(C2H3O2)(C9H7N)] | Z = 2 |
Mr = 562.93 | F(000) = 584 |
Triclinic, P1 | Dx = 1.402 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 9.529 (1) Å | Cell parameters from 6783 reflections |
b = 11.471 (1) Å | θ = 3.0–27.3° |
c = 12.633 (2) Å | µ = 0.97 mm−1 |
α = 94.391 (9)° | T = 293 K |
β = 95.409 (8)° | Prism, yellow |
γ = 102.888 (5)° | 0.37 × 0.24 × 0.19 mm |
V = 1333.2 (3) Å3 |
Data collection top
Rigaku R-AXIS RAPID diffractometer | 6036 independent reflections |
Radiation source: fine-focus sealed tube | 4880 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.026 |
Detector resolution: 10 pixels mm-1 | θmax = 27.5°, θmin = 3.0° |
ω scans | h = −11→12 |
Absorption correction: multi-scan (ABSCOR; Higashi, 1995) | k = −14→14 |
Tmin = 0.717, Tmax = 0.838 | l = −16→16 |
12738 measured reflections |
Refinement top
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) = 0.120 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.03 | w = 1/[σ2(Fo2) + (0.0716P)2 + 0.2421P] where P = (Fo2 + 2Fc2)/3 |
6036 reflections | (Δ/σ)max = 0.001 |
346 parameters | Δρmax = 0.67 e Å−3 |
0 restraints | Δρmin = −0.34 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | ||
Zn1 | 0.73388 (3) | 0.34612 (2) | 0.81804 (2) | 0.0476 (1) | |
N1 | 0.7654 (2) | 0.4481 (2) | 0.9632 (1) | 0.0449 (4) | |
N2 | 0.8512 (2) | 0.4087 (2) | 1.0422 (1) | 0.0448 (4) | |
N3 | 0.5382 (2) | 0.2068 (2) | 0.8222 (2) | 0.0474 (4) | |
O1 | 0.6322 (2) | 0.4614 (2) | 0.7532 (1) | 0.0573 (4) | |
O2 | 0.8472 (2) | 0.2489 (2) | 0.9249 (1) | 0.0547 (4) | |
O3 | 1.2088 (2) | 0.0924 (2) | 1.3093 (1) | 0.0670 (5) | |
O4 | 0.8153 (2) | 0.2915 (2) | 0.6853 (1) | 0.0544 (4) | |
O5 | 0.9814 (2) | 0.4380 (2) | 0.7739 (2) | 0.0688 (5) | |
C1 | 0.4432 (3) | 0.5572 (3) | 0.6309 (2) | 0.0617 (6) | |
C2 | 0.3579 (3) | 0.6098 (3) | 0.5638 (2) | 0.0715 (8) | |
C3 | 0.3282 (3) | 0.7172 (3) | 0.5965 (3) | 0.0745 (8) | |
C4 | 0.3826 (4) | 0.7708 (3) | 0.6963 (3) | 0.090 (1) | |
C5 | 0.4685 (4) | 0.7187 (3) | 0.7644 (2) | 0.0752 (8) | |
C6 | 0.5005 (2) | 0.6104 (2) | 0.7330 (2) | 0.0492 (5) | |
C7 | 0.5926 (2) | 0.5489 (2) | 0.8020 (2) | 0.0456 (5) | |
C8 | 0.6260 (2) | 0.5867 (2) | 0.9105 (2) | 0.0481 (5) | |
C9 | 0.7106 (2) | 0.5413 (2) | 0.9887 (2) | 0.0449 (5) | |
C10 | 0.7356 (3) | 0.6038 (2) | 1.0998 (2) | 0.0551 (6) | |
C11 | 0.8901 (2) | 0.3057 (2) | 1.0150 (2) | 0.0440 (5) | |
C12 | 0.9798 (2) | 0.2563 (2) | 1.0946 (2) | 0.0426 (5) | |
C13 | 0.9989 (3) | 0.2913 (2) | 1.2035 (2) | 0.0531 (6) | |
C14 | 1.0784 (3) | 0.2366 (2) | 1.2729 (2) | 0.0579 (6) | |
C15 | 1.1380 (3) | 0.1439 (2) | 1.2344 (2) | 0.0491 (5) | |
C16 | 1.1203 (3) | 0.1085 (2) | 1.1257 (2) | 0.0485 (5) | |
C17 | 1.0426 (2) | 0.1650 (2) | 1.0571 (2) | 0.0455 (5) | |
C18 | 1.2650 (4) | −0.0078 (3) | 1.2756 (3) | 0.088 (1) | |
C19 | 0.5142 (3) | 0.1664 (2) | 0.9152 (2) | 0.0555 (6) | |
C20 | 0.3878 (3) | 0.0849 (3) | 0.9333 (2) | 0.0650 (7) | |
C21 | 0.2810 (3) | 0.0444 (3) | 0.8508 (2) | 0.0651 (7) | |
C22 | 0.3002 (3) | 0.0846 (2) | 0.7498 (2) | 0.0546 (6) | |
C23 | 0.1954 (3) | 0.0456 (3) | 0.6589 (3) | 0.0739 (8) | |
C24 | 0.2209 (3) | 0.0848 (3) | 0.5634 (2) | 0.0809 (9) | |
C25 | 0.3514 (3) | 0.1653 (3) | 0.5518 (2) | 0.0702 (8) | |
C26 | 0.4555 (3) | 0.2058 (2) | 0.6363 (2) | 0.0557 (6) | |
C27 | 0.4321 (2) | 0.1660 (2) | 0.7376 (2) | 0.0457 (5) | |
C28 | 0.9393 (3) | 0.3615 (2) | 0.6957 (2) | 0.0537 (6) | |
C29 | 1.0360 (4) | 0.3497 (4) | 0.6095 (3) | 0.103 (1) | |
H1 | 0.4628 | 0.4843 | 0.6071 | 0.074* | |
H2 | 0.3204 | 0.5719 | 0.4960 | 0.086* | |
H3 | 0.2716 | 0.7531 | 0.5512 | 0.089* | |
H4 | 0.3619 | 0.8435 | 0.7193 | 0.108* | |
H5 | 0.5051 | 0.7573 | 0.8321 | 0.090* | |
H8 | 0.5877 | 0.6502 | 0.9350 | 0.058* | |
H10A | 0.7230 | 0.5451 | 1.1504 | 0.066* | |
H10B | 0.6675 | 0.6534 | 1.1075 | 0.066* | |
H10C | 0.8324 | 0.6531 | 1.1126 | 0.066* | |
H13 | 0.9578 | 0.3521 | 1.2301 | 0.064* | |
H14 | 1.0920 | 0.2618 | 1.3456 | 0.070* | |
H16 | 1.1607 | 0.0471 | 1.0992 | 0.058* | |
H17 | 1.0318 | 0.1415 | 0.9841 | 0.055* | |
H18A | 1.1872 | −0.0718 | 1.2417 | 0.106* | |
H18B | 1.3120 | −0.0348 | 1.3365 | 0.106* | |
H18C | 1.3338 | 0.0156 | 1.2259 | 0.106* | |
H19 | 0.5858 | 0.1938 | 0.9725 | 0.067* | |
H20 | 0.3769 | 0.0588 | 1.0006 | 0.078* | |
H21 | 0.1960 | −0.0095 | 0.8612 | 0.078* | |
H23 | 0.1083 | −0.0077 | 0.6657 | 0.089* | |
H24 | 0.1514 | 0.0583 | 0.5046 | 0.097* | |
H25 | 0.3673 | 0.1916 | 0.4851 | 0.084* | |
H26 | 0.5414 | 0.2594 | 0.6273 | 0.067* | |
H29A | 1.0453 | 0.4181 | 0.5693 | 0.123* | |
H29B | 0.9944 | 0.2778 | 0.5627 | 0.123* | |
H29C | 1.1300 | 0.3456 | 0.6416 | 0.123* | |
H30 | 0.8775 | 0.4478 | 1.1043 | 0.054* |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Zn1 | 0.0548 (2) | 0.0449 (2) | 0.0423 (2) | 0.0150 (1) | −0.0033 (1) | −0.0010 (1) |
N1 | 0.048 (1) | 0.044 (1) | 0.0417 (9) | 0.0117 (8) | −0.0032 (8) | 0.0021 (8) |
N2 | 0.049 (1) | 0.044 (1) | 0.0398 (9) | 0.0110 (8) | −0.0039 (8) | 0.0015 (7) |
N3 | 0.051 (1) | 0.050 (1) | 0.042 (1) | 0.0131 (9) | 0.0036 (8) | 0.0051 (8) |
O1 | 0.072 (1) | 0.055 (1) | 0.0497 (9) | 0.0302 (9) | −0.0023 (8) | −0.0013 (7) |
O2 | 0.067 (1) | 0.0512 (9) | 0.0455 (9) | 0.0232 (8) | −0.0110 (7) | −0.0050 (7) |
O3 | 0.093 (1) | 0.060 (1) | 0.051 (1) | 0.034 (1) | −0.0138 (9) | 0.0040 (8) |
O4 | 0.0507 (9) | 0.0543 (9) | 0.054 (1) | 0.0055 (8) | 0.0023 (7) | 0.0007 (8) |
O5 | 0.065 (1) | 0.056 (1) | 0.077 (1) | 0.0108 (9) | −0.011 (1) | −0.0086 (9) |
C1 | 0.070 (2) | 0.062 (2) | 0.056 (2) | 0.025 (1) | −0.002 (1) | 0.007 (1) |
C2 | 0.074 (2) | 0.083 (2) | 0.056 (2) | 0.021 (2) | −0.008 (1) | 0.011 (1) |
C3 | 0.066 (2) | 0.088 (2) | 0.076 (2) | 0.030 (2) | −0.003 (1) | 0.027 (2) |
C4 | 0.118 (3) | 0.080 (2) | 0.086 (2) | 0.059 (2) | −0.005 (2) | 0.008 (2) |
C5 | 0.099 (2) | 0.070 (2) | 0.063 (2) | 0.042 (2) | −0.011 (2) | −0.000 (1) |
C6 | 0.045 (1) | 0.050 (1) | 0.052 (1) | 0.009 (1) | 0.007 (1) | 0.011 (1) |
C7 | 0.043 (1) | 0.042 (1) | 0.050 (1) | 0.0072 (9) | 0.0030 (9) | 0.0086 (9) |
C8 | 0.049 (1) | 0.0455 (1) | 0.050 (1) | 0.013 (1) | 0.004 (1) | 0.003 (1) |
C9 | 0.041 (1) | 0.045 (1) | 0.047 (1) | 0.0073 (9) | 0.0042 (9) | 0.0018 (9) |
C10 | 0.059 (1) | 0.059 (1) | 0.049 (1) | 0.022 (1) | −0.002 (1) | −0.003 (1) |
C11 | 0.044 (1) | 0.043 (1) | 0.043 (1) | 0.0062 (9) | −0.0005 (9) | 0.0032 (9) |
C12 | 0.040 (1) | 0.041 (1) | 0.042 (1) | 0.0035 (9) | 0.0004 (8) | 0.0040 (9) |
C13 | 0.069 (2) | 0.046 (1) | 0.047 (1) | 0.021 (1) | 0.002 (1) | 0.001 (1) |
C14 | 0.082 (2) | 0.054 (1) | 0.038 (1) | 0.022 (1) | −0.005 (1) | −0.002 (1) |
C15 | 0.056 (1) | 0.044 (1) | 0.046 (1) | 0.011 (1) | −0.004 (1) | 0.0062 (9) |
C16 | 0.051 (1) | 0.046 (1) | 0.048 (1) | 0.013 (1) | 0.003 (1) | 0.001 (1) |
C17 | 0.047 (1) | 0.048 (1) | 0.040 (1) | 0.010 (1) | 0.0010 (9) | 0.0008 (9) |
C18 | 0.126 (3) | 0.069 (2) | 0.077 (2) | 0.055 (2) | −0.018 (2) | 0.005 (2) |
C19 | 0.057 (1) | 0.065 (2) | 0.046 (1) | 0.018 (1) | 0.005 (1) | 0.008 (1) |
C20 | 0.074 (2) | 0.075 (2) | 0.055 (2) | 0.024 (2) | 0.020 (1) | 0.022 (1) |
C21 | 0.059 (2) | 0.066 (2) | 0.072 (2) | 0.008 (1) | 0.021 (1) | 0.015 (1) |
C22 | 0.051 (1) | 0.054 (1) | 0.058 (1) | 0.008 (1) | 0.009 (1) | 0.006 (1) |
C23 | 0.053 (2) | 0.081 (2) | 0.075 (2) | −0.008 (1) | 0.000 (1) | 0.005 (2) |
C24 | 0.061 (2) | 0.103 (2) | 0.060 (2) | −0.010 (2) | −0.011 (1) | 0.003 (2) |
C25 | 0.066 (2) | 0.088 (2) | 0.046 (1) | −0.002 (2) | −0.005 (1) | 0.007 (1) |
C26 | 0.052 (1) | 0.062 (2) | 0.046 (1) | 0.001 (1) | 0.001 (1) | 0.008 (1) |
C27 | 0.046 (1) | 0.044 (1) | 0.046 (1) | 0.011 (1) | 0.0030 (9) | 0.0019 (9) |
C28 | 0.050 (1) | 0.054 (1) | 0.056 (1) | 0.012 (1) | −0.000 (1) | 0.006 (1) |
C29 | 0.071 (2) | 0.137 (4) | 0.095 (3) | 0.009 (2) | 0.0270 (19) | −0.004 (2) |
Geometric parameters (Å, º) top
Zn1—N1 | 2.058 (2) | C10—H10C | 0.9600 |
Zn1—N3 | 2.176 (2) | C11—C12 | 1.485 (3) |
Zn1—O1 | 1.987 (2) | C12—c13 | 1.387 (3) |
Zn1—O2 | 2.174 (2) | C12—C17 | 1.393 (3) |
Zn1—O4 | 2.027 (2) | C13—C14 | 1.380 (3) |
N1—C9 | 1.322 (3) | C13—H13 | 0.9300 |
O2—C11 | 1.252 (3) | C14—C15 | 1.390 (3) |
C7—C8 | 1.390 (3) | C14—H14 | 0.9300 |
N1—N2 | 1.395 (2) | C15—C16 | 1.386 (3) |
N2—C11 | 1.344 (3) | C16—C17 | 1.378 (3) |
O1—C7 | 1.283 (3) | C16—H16 | 0.9300 |
C8—C9 | 1.419 (3) | C17—H17 | 0.9300 |
Zn1—C28 | 2.591 (3) | C18—H18A | 0.9600 |
N2—H30 | 0.8600 | C18—H18B | 0.9600 |
N3—C19 | 1.318 (3) | C18—H18C | 0.9600 |
N3—C27 | 1.376 (3) | C19—C20 | 1.400 (4) |
O3—C15 | 1.357 (3) | C19—H19 | 0.9300 |
O3—C18 | 1.425 (3) | C20—C21 | 1.361 (4) |
O4—C28 | 1.261 (3) | C20—H20 | 0.9300 |
O5—C28 | 1.242 (3) | C21—C22 | 1.404 (4) |
C1—C2 | 1.383 (4) | C21—H21 | 0.9300 |
C1—C6 | 1.390 (4) | C22—C27 | 1.417 (3) |
C1—H1 | 0.9300 | C22—C23 | 1.422 (4) |
C2—C3 | 1.367 (5) | C23—C24 | 1.344 (4) |
C2—H2 | 0.9300 | C23—H23 | 0.9300 |
C3—C4 | 1.361 (5) | C24—C25 | 1.402 (4) |
C3—H3 | 0.9300 | C24—H24 | 0.9300 |
C4—C5 | 1.390 (4) | C25—C26 | 1.363 (3) |
C4—H4 | 0.9300 | C25—H25 | 0.9300 |
C5—C6 | 1.382 (4) | C26—C27 | 1.412 (3) |
C5—H5 | 0.9300 | C26—H26 | 0.9300 |
C6—C7 | 1.502 (3) | C28—C29 | 1.508 (4) |
C8—H8 | 0.9300 | C29—H29A | 0.9600 |
C9—C10 | 1.499 (3) | C29—H29B | 0.9600 |
C10—H10A | 0.9600 | C29—H29C | 0.9600 |
C10—H10B | 0.9600 | ||
N1—Zn1—N3 | 105.54 (8) | C9—C10—H10A | 109.5 |
N1—Zn1—O2 | 75.77 (7) | C9—C10—H10B | 109.5 |
O1—Zn1—N1 | 90.07 (7) | C9—C10—H10C | 109.5 |
O1—Zn1—N3 | 95.17 (8) | C11—N2—N1 | 115.8 (2) |
O1—Zn1—O2 | 165.82 (7) | C11—N2—H30 | 122.1 |
O1—Zn1—O4 | 97.59 (7) | C11—O2—Zn1 | 112.9 (1) |
O2—Zn1—N3 | 88.04 (7) | C12—C13—H13 | 119.7 |
O4—Zn1—N1 | 149.27 (8) | C12—C17—H17 | 119.3 |
O4—Zn1—N3 | 103.35 (7) | C13—C12—C11 | 124.3 (2) |
O4—Zn1—O2 | 95.08 (7) | C13—C12—C17 | 118.4 (2) |
N1—Zn1—C28 | 120.99 (8) | C13—C14—C15 | 120.3 (2) |
N1—N2—H30 | 122.1 | C13—C14—H14 | 119.9 |
N1—C9—C8 | 120.7 (2) | C14—C13—C12 | 120.6 (2) |
N1—C9—C10 | 122.0 (2) | C14—C13—H13 | 119.7 |
N2—N1—Zn1 | 114.0 (1) | C15—O3—C18 | 118.6 (2) |
N2—C11—C12 | 119.5 (2) | C15—C14—H14 | 119.9 |
N3—Zn1—C28 | 131.19 (8) | C15—C16—H16 | 120.2 |
N3—C19—C20 | 124.2 (2) | C16—C15—C14 | 119.7 (2) |
N3—C19—H19 | 117.9 | C16—C17—C12 | 121.4 (2) |
N3—C27—C22 | 121.5 (2) | C16—C17—H17 | 119.3 |
N3—C27—C26 | 119.1 (2) | C17—C12—C11 | 117.2 (2) |
O1—Zn1—C28 | 98.48 (8) | C17—C16—C15 | 119.6 (2) |
O1—C7—C6 | 114.9 (2) | C17—C16—H16 | 120.2 |
O1—C7—C8 | 125.3 (2) | C19—N3—Zn1 | 117.2 (2) |
O2—Zn1—C28 | 89.66 (7) | C19—N3—C27 | 117.7 (2) |
O2—C11—N2 | 120.8 (2) | C19—C20—H20 | 120.5 |
O2—C11—C12 | 119.7 (2) | C20—C19—H19 | 117.9 |
O3—C15—C14 | 115.9 (2) | C20—C21—C22 | 119.5 (3) |
O3—C15—C16 | 124.5 (2) | C20—C21—H21 | 120.3 |
O3—C18—H18A | 109.5 | C21—C20—C19 | 118.9 (2) |
O3—C18—H18B | 109.5 | C21—C20—H20 | 120.5 |
O3—C18—H18C | 109.5 | C21—C22—C23 | 123.2 (3) |
O4—Zn1—C28 | 28.49 (7) | C21—C22—C27 | 118.2 (2) |
O4—C28—Zn1 | 50.1 (1) | C22—C21—H21 | 120.3 |
O4—C28—C29 | 117.8 (3) | C22—C23—H23 | 119.6 |
O5—C28—Zn1 | 71.5 (2) | C23—C24—C25 | 120.5 (3) |
O5—C28—O4 | 121.6 (2) | C23—C24—H24 | 119.8 |
O5—C28—C29 | 120.6 (3) | C24—C23—C22 | 120.7 (3) |
C1—C2—H2 | 119.8 | C24—C23—H23 | 119.6 |
C1—C6—C7 | 119.1 (2) | C24—C25—H25 | 119.4 |
C2—C1—C6 | 121.7 (3) | C25—C24—H24 | 119.8 |
C2—C1—H1 | 119.2 | C25—C26—C27 | 119.6 (2) |
C2—C3—H3 | 120.4 | C25—C26—H26 | 120.2 |
C3—C2—C1 | 120.3 (3) | C26—C25—C24 | 121.2 (3) |
C3—C2—H2 | 119.8 | C26—C25—H25 | 119.4 |
C3—C4—C5 | 121.0 (3) | C26—C27—C22 | 119.4 (2) |
C3—C4—H4 | 119.5 | C27—N3—Zn1 | 124.9 (2) |
C4—C3—C2 | 119.1 (3) | C27—C22—C23 | 118.6 (2) |
C4—C3—H3 | 120.4 | C27—C26—H26 | 120.2 |
C4—C5—H5 | 119.5 | C28—O4—Zn1 | 101.4 (2) |
C5—C4—H4 | 119.5 | C28—C29—H29A | 109.5 |
C5—C6—C1 | 116.9 (2) | C28—C29—H29B | 109.5 |
C5—C6—C7 | 123.9 (2) | C28—C29—H29C | 109.5 |
C6—C1—H1 | 119.2 | C29—C28—Zn1 | 167.8 (2) |
C6—C5—C4 | 120.9 (3) | H10A—C10—H10B | 109.5 |
C6—C5—H5 | 119.5 | H10A—C10—H10C | 109.5 |
C7—O1—Zn1 | 127.2 (2) | H10B—C10—H10C | 109.5 |
C7—C8—C9 | 128.6 (2) | H18A—C18—H18B | 109.5 |
C7—C8—H8 | 115.7 | H18A—C18—H18C | 109.5 |
C8—C7—C6 | 119.8 (2) | H18B—C18—H18C | 109.5 |
C8—C9—C10 | 117.3 (2) | H29A—C29—H29B | 109.5 |
C9—N1—Zn1 | 127.3 (2) | H29A—C29—H29C | 109.5 |
C9—N1—N2 | 118.6 (2) | H29B—C29—H29C | 109.5 |
C9—C8—H8 | 115.7 | ||
Zn1—N1—N2—C11 | −5.3 (2) | O4—Zn1—N1—N2 | −69.1 (2) |
Zn1—N1—C9—C8 | −4.0 (3) | O4—Zn1—N1—C9 | 113.2 (2) |
Zn1—N1—C9—C10 | 176.5 (2) | O4—Zn1—N3—C19 | 135.7 (2) |
Zn1—N3—C19—C20 | 174.2 (2) | O4—Zn1—N3—C27 | −50.5 (2) |
Zn1—N3—C27—C22 | −172.8 (2) | O4—Zn1—O1—C7 | −159.3 (2) |
Zn1—N3—C27—C26 | 7.3 (3) | O4—Zn1—O2—C11 | 142.6 (2) |
Zn1—O1—C7—C6 | −172.3 (2) | O4—Zn1—C28—O5 | −179.6 (2) |
Zn1—O1—C7—C8 | 6.4 (3) | O4—Zn1—C28—C29 | 3 (1) |
Zn1—O2—C11—N2 | 7.6 (3) | C1—C2—C3—C4 | −0.7 (5) |
Zn1—O2—C11—C12 | −175.1 (2) | C1—C6—C7—O1 | 11.9 (3) |
Zn1—O4—C28—O5 | 0.5 (3) | C1—C6—C7—C8 | −166.8 (2) |
Zn1—O4—C28—C29 | −179.4 (3) | C2—C1—C6—C5 | −0.2 (4) |
N1—Zn1—N3—C19 | −33.7 (2) | C2—C1—C6—C7 | −179.9 (3) |
N1—Zn1—N3—C27 | 140.1 (2) | C2—C3—C4—C5 | 0.7 (6) |
N1—Zn1—O1—C7 | −9.1 (2) | C3—C4—C5—C6 | −0.5 (6) |
N1—Zn1—O2—C11 | −7.7 (2) | C4—C5—C6—C1 | 0.2 (5) |
N1—Zn1—O4—C28 | −9.3 (2) | C4—C5—C6—C7 | 179.9 (3) |
N1—Zn1—C28—O4 | 174.5 (1) | C5—C6—C7—O1 | −167.8 (3) |
N1—Zn1—C28—O5 | −5.1 (2) | C5—C6—C7—C8 | 13.5 (4) |
N1—Zn1—C28—C29 | 177 (1) | C6—C1—C2—C3 | 0.4 (5) |
N1—N2—C11—O2 | −1.9 (3) | C6—C7—C8—C9 | −179.9 (2) |
N1—N2—C11—C12 | −179.2 (2) | C7—C8—C9—N1 | −2.6 (4) |
N2—N1—C9—C8 | 178.3 (2) | C7—C8—C9—C10 | 176.9 (2) |
N2—N1—C9—C10 | −1.2 (3) | C9—N1—N2—C11 | 172.7 (2) |
N2—C11—C12—C13 | 16.4 (3) | C11—C12—C13—C14 | 176.8 (2) |
N2—C11—C12—C17 | −166.8 (2) | C11—C12—C17—C16 | −176.0 (2) |
N3—Zn1—N1—N2 | 90.4 (2) | C12—C13—C14—C15 | −1.2 (4) |
N3—Zn1—N1—C9 | −87.3 (2) | C13—C12—C17—C16 | 1.0 (3) |
N3—Zn1—O1—C7 | 96.5 (2) | C13—C14—C15—O3 | −177.2 (2) |
N3—Zn1—O2—C11 | −114.2 (2) | C13—C14—C15—C16 | 1.5 (4) |
N3—Zn1—O4—C28 | −169.0 (1) | C14—C15—C16—C17 | −0.6 (4) |
N3—Zn1—C28—O4 | 14.3 (2) | C15—C16—C17—C12 | −0.7 (4) |
N3—Zn1—C28—O5 | −165.3 (1) | C17—C12—C13—C14 | 0.0 (4) |
N3—Zn1—C28—C29 | 16 (1) | C18—O3—C15—C14 | 176.3 (3) |
N3—C19—C20—C21 | −0.6 (4) | C18—O3—C15—C16 | −2.3 (4) |
O1—Zn1—N1—N2 | −174.2 (2) | C19—N3—C27—C22 | 1.0 (3) |
O1—Zn1—N1—C9 | 8.1 (2) | C19—N3—C27—C26 | −178.9 (2) |
O1—Zn1—N3—C19 | −125.2 (2) | C19—C20—C21—C22 | 0.3 (4) |
O1—Zn1—N3—C27 | 48.6 (2) | C20—C21—C22—C23 | 179.0 (3) |
O1—Zn1—O2—C11 | −10.8 (4) | C21—C22—C23—C24 | −178.3 (3) |
O1—Zn1—O4—C28 | 93.8 (2) | C21—C22—C27—N3 | −1.2 (4) |
O1—Zn1—C28—O4 | −90.3 (2) | C21—C22—C27—C26 | 178.6 (2) |
O1—Zn1—C28—O5 | 90.1 (2) | C22—C23—C24—C25 | −0.2 (6) |
O1—Zn1—C28—C29 | −88 (1) | C23—C22—C27—N3 | −179.7 (2) |
O1—C7—C8—C9 | 1.5 (4) | C23—C22—C27—C26 | 0.1 (4) |
O2—Zn1—N1—N2 | 6.6 (1) | C23—C24—C25—C26 | 0.0 (6) |
O2—Zn1—N1—C9 | −171.2 (2) | C24—C25—C26—C27 | 0.2 (5) |
O2—Zn1—N3—C19 | 40.9 (2) | C25—C26—C27—N3 | 179.6 (3) |
O2—Zn1—N3—C27 | −145.2 (2) | C25—C26—C27—C22 | −0.2 (4) |
O2—Zn1—O1—C7 | −6.1 (4) | C27—N3—C19—C20 | −0.1 (4) |
O2—Zn1—O4—C28 | −79.8 (2) | C27—C22—C23—C24 | 0.1 (5) |
O2—Zn1—C28—O4 | 101.3 (2) | C28—Zn1—N1—N2 | −74.2 (2) |
O2—Zn1—C28—O5 | −78.2 (2) | C28—Zn1—N1—C9 | 108.0 (2) |
O2—Zn1—C28—C29 | 104 (1) | C28—Zn1—N3—C19 | 128.8 (2) |
O2—C11—C12—C13 | −161.0 (2) | C28—Zn1—N3—C27 | −57.4 (2) |
O2—C11—C12—C17 | 15.8 (3) | C28—Zn1—O1—C7 | −130.5 (2) |
O3—C15—C16—C17 | 178.1 (2) | C28—Zn1—O2—C11 | 114.5 (2) |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
N2—H30···O5i | 0.86 | 2.10 | 2.909 (3) | 157 |
Symmetry code: (i) −x+2, −y+1, −z+2. |
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