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metal-organic compounds
In the title complex, [Zn(C11H12N3O2)(C2H3O2)(C9H7N)]·0.5C9H7N, the ZnII atom is five-coordinate, bonded to one acetate O atom, one O atom and two N atoms from the tridentate hydrazone HL− ligand (H2L is diacetyl monoxime benzoylhydrazone), and one N atom from the quinoline molecule. The uncoordinated quinoline molecule is disordered and lies on a center of inversion. The presence of π–π stacking interactions between the coordinated quinoline ligands results in a chain structure along the a axis.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804009389/hb6035sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804009389/hb6035Isup2.hkl |
CCDC reference: 239078
Key indicators
- Single-crystal X-ray study
- T = 293 K
- R factor = 0.051
- wR factor = 0.135
- Data-to-parameter ratio = 18.0
checkCIF/PLATON results
No syntax errors found
Alert level A PLAT241_ALERT_2_A Check High U(eq) as Compared to Neighbors .... C24 PLAT241_ALERT_2_A Check High U(eq) as Compared to Neighbors .... C32
Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.57 Ratio PLAT241_ALERT_2_B Check High U(eq) as Compared to Neighbors .... C31 PLAT242_ALERT_2_B Check Low U(eq) as Compared to Neighbors .... C38 PLAT414_ALERT_2_B Short Intra D-H..H-X H1 .. H9C .. 1.89 Ang.
Alert level C PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 0.50 Ratio PLAT165_ALERT_3_C Nr. of Status R Flagged Non-Hydrogen Atoms ..... 20 PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.63 Ratio PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... N7 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C33 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C37 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C25 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C27 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C29 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C34 PLAT301_ALERT_3_C Main Residue Disorder ......................... 14.00 Perc. PLAT414_ALERT_2_C Short Intra D-H..H-X H1 .. H7 .. 1.90 Ang. PLAT420_ALERT_2_C D-H Without Acceptor N1 - H1 ... ?
2 ALERT level A = In general: serious problem 4 ALERT level B = Potentially serious problem 15 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 15 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 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 Corporation, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC and Rigaku Corporation, 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.
Bis{(acetato-κO)(diacetyl monoxime
benzoylhydrazonato-κ3O,O',N)-
(quinoline-κN)zinc(II)} quinoline solvate top
Crystal data top
[Zn(C11H12N3O2)(C2H3O2)(C9H7N)]·0.5C9H7N | Z = 2 |
Mr = 536.39 | F(000) = 556 |
Triclinic, P1 | Dx = 1.431 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 7.383 (2) Å | Cell parameters from 4813 reflections |
b = 12.286 (3) Å | θ = 3.3–27.4° |
c = 13.910 (3) Å | µ = 1.03 mm−1 |
α = 85.97 (3)° | T = 293 K |
β = 83.51 (3)° | Prism, yellow |
γ = 84.07 (3)° | 0.35 × 0.27 × 0.18 mm |
V = 1244.8 (5) Å3 |
Data collection top
Rigaku R-AXIS RAPID diffractometer | 5674 independent reflections |
Radiation source: fine-focus sealed tube | 4301 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.025 |
Detector resolution: 10 pixels mm-1 | θmax = 27.5°, θmin = 3.0° |
ω scans | h = −9→8 |
Absorption correction: multi-scan (ABSCOR; Higashi, 1995) | k = −15→15 |
Tmin = 0.715, Tmax = 0.837 | l = −18→18 |
12128 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)] = 0.051 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.135 | H-atom parameters constrained |
S = 1.04 | w = 1/[σ2(Fo2) + (0.0719P)2 + 0.4688P] where P = (Fo2 + 2Fc2)/3 |
5674 reflections | (Δ/σ)max = 0.001 |
315 parameters | Δρmax = 0.63 e Å−3 |
0 restraints | Δρmin = −0.38 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Zn1 | 0.69689 (5) | 0.03691 (3) | 0.23214 (2) | 0.0518 (1) | |
N1 | 0.6615 (4) | 0.2562 (2) | 0.1340 (2) | 0.0581 (6) | |
N2 | 0.7851 (3) | 0.1659 (2) | 0.1443 (2) | 0.0544 (6) | |
N3 | 0.9740 (4) | −0.0155 (2) | 0.1615 (2) | 0.0572 (6) | |
N4 | 0.7370 (3) | 0.0078 (2) | 0.3756 (2) | 0.0517 (5) | |
N6 | 0.505 (1) | 0.5028 (8) | 0.6353 (6) | 0.073 (3)* | 0.25 |
N7 | 0.685 (1) | 0.535 (1) | 0.5754 (7) | 0.098 (5)* | 0.25 |
O1 | 0.4731 (3) | 0.1540 (2) | 0.2383 (2) | 0.0578 (5) | |
O2 | 1.0727 (3) | −0.1162 (2) | 0.1768 (2) | 0.0660 (6) | |
O3 | 0.5730 (3) | −0.0849 (2) | 0.1968 (2) | 0.0641 (5) | |
O4 | 0.7867 (4) | −0.2240 (2) | 0.2093 (2) | 0.0760 (7) | |
C1 | 0.5052 (4) | 0.2399 (2) | 0.1859 (2) | 0.0507 (6) | |
C2 | 0.3585 (4) | 0.3309 (2) | 0.1802 (2) | 0.0554 (7) | |
C3 | 0.1887 (5) | 0.3213 (3) | 0.2318 (2) | 0.0632 (8) | |
C4 | 0.0499 (6) | 0.4048 (3) | 0.2262 (3) | 0.077 (1) | |
C5 | 0.0811 (6) | 0.4991 (3) | 0.1701 (3) | 0.086 (1) | |
C6 | 0.2483 (6) | 0.5090 (3) | 0.1187 (4) | 0.091 (1) | |
C7 | 0.3855 (5) | 0.4258 (3) | 0.1233 (3) | 0.076 (1) | |
C8 | 0.9426 (4) | 0.1620 (3) | 0.0953 (2) | 0.0550 (7) | |
C9 | 1.0051 (5) | 0.2510 (3) | 0.0257 (2) | 0.0722 (9) | |
C10 | 1.0569 (4) | 0.0579 (3) | 0.1103 (2) | 0.0551 (7) | |
C11 | 1.2493 (4) | 0.0401 (3) | 0.0648 (3) | 0.0729 (9) | |
C12 | 0.7167 (5) | −0.0917 (3) | 0.4142 (2) | 0.0642 (8) | |
C13 | 0.7181 (5) | −0.1202 (3) | 0.5132 (3) | 0.074 (1) | |
C14 | 0.7393 (5) | −0.0439 (3) | 0.5736 (2) | 0.0693 (9) | |
C15 | 0.7638 (4) | 0.0623 (3) | 0.5369 (2) | 0.0579 (7) | |
C16 | 0.7625 (4) | 0.0872 (2) | 0.4362 (2) | 0.0505 (6) | |
C17 | 0.7846 (5) | 0.1937 (3) | 0.3980 (2) | 0.0631 (8) | |
C18 | 0.8052 (6) | 0.2730 (3) | 0.4588 (3) | 0.080 (1) | |
C19 | 0.8056 (6) | 0.2490 (4) | 0.5582 (3) | 0.088 (1) | |
C20 | 0.7861 (5) | 0.1475 (4) | 0.5966 (2) | 0.078 (1) | |
C21 | 0.6353 (5) | −0.1834 (3) | 0.1875 (2) | 0.0654 (8) | |
C22 | 0.5108 (6) | −0.2548 (3) | 0.1484 (4) | 0.096 (1) | |
C23 | 0.358 (1) | 0.4488 (9) | 0.6787 (6) | 0.091 (6)* | 0.25 |
C24 | 0.241 (1) | 0.4073 (9) | 0.6216 (8) | 0.123 (9)* | 0.25 |
C25 | 0.272 (1) | 0.4198 (8) | 0.5212 (8) | 0.059 (3)* | 0.25 |
C26 | 0.419 (1) | 0.4738 (7) | 0.4778 (6) | 0.062 (4)* | 0.25 |
C27 | 0.536 (1) | 0.5154 (7) | 0.5348 (6) | 0.050 (4)* | 0.25 |
C28 | 0.683 (1) | 0.5694 (7) | 0.4914 (6) | 0.069 (4)* | 0.25 |
C29 | 0.714 (1) | 0.5819 (8) | 0.3910 (7) | 0.055 (3)* | 0.25 |
C30 | 0.597 (1) | 0.5404 (8) | 0.3340 (6) | 0.082 (5)* | 0.25 |
C31 | 0.450 (1) | 0.4864 (8) | 0.3774 (6) | 0.102 (7)* | 0.25 |
C32 | 0.814 (1) | 0.584 (1) | 0.5104 (9) | 0.15 (1)* | 0.25 |
C33 | 0.791 (1) | 0.5954 (9) | 0.4122 (8) | 0.099 (7)* | 0.25 |
C34 | 0.640 (1) | 0.5573 (8) | 0.3790 (7) | 0.051 (3)* | 0.25 |
C35 | 0.511 (1) | 0.5082 (7) | 0.4440 (6) | 0.070 (4)* | 0.25 |
C36 | 0.534 (1) | 0.4972 (7) | 0.5422 (6) | 0.058 (5)* | 0.25 |
C37 | 0.405 (1) | 0.4481 (8) | 0.6072 (6) | 0.088 (5)* | 0.25 |
C38 | 0.254 (1) | 0.4100 (7) | 0.5740 (6) | 0.042 (2)* | 0.25 |
C39 | 0.232 (1) | 0.4210 (7) | 0.4758 (7) | 0.059 (3)* | 0.25 |
C40 | 0.360 (1) | 0.4701 (7) | 0.4108 (6) | 0.078 (5)* | 0.25 |
H1 | 0.6827 | 0.3145 | 0.0977 | 0.070* | |
H3 | 0.1681 | 0.2580 | 0.2705 | 0.076* | |
H4 | −0.0645 | 0.3973 | 0.2602 | 0.092* | |
H5 | −0.0116 | 0.5562 | 0.1672 | 0.103* | |
H6 | 0.2687 | 0.5726 | 0.0803 | 0.109* | |
H7 | 0.4985 | 0.4332 | 0.0877 | 0.091* | |
H9A | 1.0082 | 0.2287 | −0.0392 | 0.108* | |
H9B | 1.1256 | 0.2660 | 0.0374 | 0.108* | |
H9C | 0.9221 | 0.3159 | 0.0340 | 0.108* | |
H11A | 1.3162 | −0.0151 | 0.1027 | 0.109* | |
H11B | 1.3058 | 0.1074 | 0.0619 | 0.109* | |
H11C | 1.2499 | 0.0165 | 0.0004 | 0.109* | |
H12 | 0.7006 | −0.1459 | 0.3734 | 0.077* | |
H13 | 0.7043 | −0.1919 | 0.5369 | 0.088* | |
H14 | 0.7376 | −0.0616 | 0.6398 | 0.083* | |
H17 | 0.7853 | 0.2105 | 0.3317 | 0.076* | |
H18 | 0.8191 | 0.3441 | 0.4335 | 0.096* | |
H19 | 0.8197 | 0.3043 | 0.5984 | 0.106* | |
H20 | 0.7870 | 0.1328 | 0.6630 | 0.093* | |
H22A | 0.4711 | −0.2210 | 0.0890 | 0.144* | |
H22B | 0.4061 | −0.2637 | 0.1948 | 0.144* | |
H22C | 0.5755 | −0.3252 | 0.1363 | 0.144* | |
H23 | 0.3371 | 0.4404 | 0.7459 | 0.109* | 0.25 |
H24 | 0.1425 | 0.3711 | 0.6507 | 0.147* | 0.25 |
H25 | 0.1937 | 0.3920 | 0.4831 | 0.071* | 0.25 |
H28 | 0.7608 | 0.5972 | 0.5296 | 0.083* | 0.25 |
H29 | 0.8120 | 0.6181 | 0.3619 | 0.066* | 0.25 |
H30 | 0.6174 | 0.5488 | 0.2668 | 0.098* | 0.25 |
H31 | 0.3716 | 0.4586 | 0.3392 | 0.123* | 0.25 |
H32 | 0.9146 | 0.6099 | 0.5326 | 0.185* | 0.25 |
H33 | 0.8773 | 0.6283 | 0.3687 | 0.119* | 0.25 |
H34 | 0.6251 | 0.5647 | 0.3133 | 0.061* | 0.25 |
H37 | 0.4200 | 0.4407 | 0.6729 | 0.105* | 0.25 |
H38 | 0.1678 | 0.3771 | 0.6175 | 0.051* | 0.25 |
H39 | 0.1304 | 0.3955 | 0.4536 | 0.070* | 0.25 |
H40 | 0.3452 | 0.4774 | 0.3451 | 0.094* | 0.25 |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Zn1 | 0.0625 (2) | 0.0491 (2) | 0.0419 (2) | −0.0066 (1) | −0.0017 (1) | 0.0056 (1) |
N1 | 0.072 (2) | 0.052 (1) | 0.049 (1) | −0.011 (1) | −0.008 (1) | 0.015 (1) |
N2 | 0.063 (2) | 0.058 (1) | 0.041 (1) | −0.010 (1) | −0.006 (1) | 0.008 (1) |
N3 | 0.061 (1) | 0.063 (2) | 0.047 (1) | −0.004 (1) | −0.004 (1) | −0.002 (1) |
N4 | 0.056 (1) | 0.050 (1) | 0.045 (1) | 0.003 (1) | 0.001 (1) | 0.006 (1) |
O1 | 0.065 (1) | 0.050 (1) | 0.055 (1) | −0.0051 (9) | 0.000 (1) | 0.0135 (9) |
O2 | 0.064 (1) | 0.066 (1) | 0.067 (1) | 0.001 (1) | −0.005 (1) | −0.005 (1) |
O3 | 0.068 (1) | 0.052 (1) | 0.073 (1) | −0.011 (1) | −0.006 (1) | −0.001 (1) |
O4 | 0.072 (2) | 0.058 (1) | 0.094 (2) | −0.006 (1) | 0.009 (1) | −0.000 (1) |
C1 | 0.066 (2) | 0.047 (2) | 0.040 (1) | −0.011 (1) | −0.011 (1) | 0.004 (1) |
C2 | 0.072 (2) | 0.048 (2) | 0.049 (2) | −0.010 (1) | −0.017 (1) | 0.005 (1) |
C3 | 0.077 (2) | 0.052 (2) | 0.058 (2) | −0.002 (2) | −0.006 (2) | 0.008 (1) |
C4 | 0.079 (2) | 0.068 (2) | 0.079 (2) | 0.005 (2) | −0.007 (2) | 0.004 (2) |
C5 | 0.096 (3) | 0.059 (2) | 0.101 (3) | 0.009 (2) | −0.030 (2) | 0.016 (2) |
C6 | 0.091 (3) | 0.063 (2) | 0.117 (3) | −0.011 (2) | −0.027 (3) | 0.039 (2) |
C7 | 0.077 (2) | 0.062 (2) | 0.087 (2) | −0.013 (2) | −0.017 (2) | 0.025 (2) |
C8 | 0.062 (2) | 0.069 (2) | 0.036 (1) | −0.018 (1) | −0.008 (1) | 0.003 (1) |
C9 | 0.079 (2) | 0.083 (2) | 0.055 (2) | −0.026 (2) | −0.003 (2) | 0.013 (2) |
C10 | 0.056 (2) | 0.074 (2) | 0.038 (1) | −0.016 (2) | −0.007 (1) | −0.002 (1) |
C11 | 0.056 (2) | 0.101 (3) | 0.061 (2) | −0.015 (2) | −0.003 (2) | 0.006 (2) |
C12 | 0.072 (2) | 0.055 (2) | 0.059 (2) | 0.002 (2) | 0.003 (2) | 0.013 (1) |
C13 | 0.079 (2) | 0.066 (2) | 0.067 (2) | 0.002 (2) | 0.003 (2) | 0.029 (2) |
C14 | 0.067 (2) | 0.086 (2) | 0.046 (2) | 0.010 (2) | 0.001 (1) | 0.022 (2) |
C15 | 0.052 (2) | 0.074 (2) | 0.041 (1) | 0.015 (1) | −0.001 (1) | 0.004 (1) |
C16 | 0.050 (2) | 0.055 (2) | 0.042 (1) | 0.010 (1) | −0.000 (1) | 0.006 (1) |
C17 | 0.083 (2) | 0.056 (2) | 0.049 (2) | 0.004 (2) | −0.011 (2) | 0.004 (1) |
C18 | 0.111 (3) | 0.056 (2) | 0.073 (2) | 0.005 (2) | −0.024 (2) | −0.003 (2) |
C19 | 0.116 (3) | 0.082 (3) | 0.067 (2) | 0.012 (2) | −0.023 (2) | −0.023 (2) |
C20 | 0.084 (2) | 0.097 (3) | 0.047 (2) | 0.018 (2) | −0.009 (2) | −0.007 (2) |
C21 | 0.070 (2) | 0.057 (2) | 0.066 (2) | −0.014 (2) | 0.012 (2) | −0.004 (2) |
C22 | 0.093 (3) | 0.066 (2) | 0.132 (4) | −0.024 (2) | −0.007 (3) | −0.024 (2) |
Geometric parameters (Å, º) top
Zn1—N2 | 2.047 (2) | C15—C16 | 1.414 (4) |
Zn1—N3 | 2.220 (3) | C15—C20 | 1.414 (5) |
Zn1—N4 | 2.052 (2) | C16—C17 | 1.396 (4) |
Zn1—O1 | 2.074 (2) | C17—C18 | 1.365 (5) |
Zn1—O3 | 1.950 (2) | C17—H17 | 0.9300 |
N1—N2 | 1.373 (4) | C18—C19 | 1.394 (5) |
N2—C8 | 1.278 (4) | C18—H18 | 0.9300 |
N3—C10 | 1.272 (4) | C19—C20 | 1.337 (6) |
O1—C1 | 1.267 (3) | C19—H19 | 0.9300 |
O2—N3 | 1.386 (3) | C20—H20 | 0.9300 |
N1—H1 | 0.8600 | C21—C22 | 1.502 (5) |
N1—C1 | 1.320 (4) | C22—H22A | 0.9600 |
N4—C12 | 1.316 (4) | C22—H22B | 0.9600 |
N4—C16 | 1.373 (4) | C22—H22C | 0.9600 |
N6—C23 | 1.3900 | C23—C24 | 1.3900 |
N6—C27 | 1.3900 | C23—H23 | 0.9300 |
N7—C32 | 1.3900 | C24—C25 | 1.3900 |
N7—C36 | 1.3900 | C24—H24 | 0.9300 |
O3—C21 | 1.260 (4) | C25—C26 | 1.3900 |
O4—C21 | 1.237 (4) | C25—H25 | 0.9300 |
C1—C2 | 1.479 (4) | C26—C27 | 1.3900 |
C2—C3 | 1.384 (5) | C26—C31 | 1.3900 |
C2—C7 | 1.382 (4) | C27—C28 | 1.3900 |
C3—C4 | 1.377 (5) | C28—C29 | 1.3900 |
C3—H3 | 0.9300 | C28—H28 | 0.9300 |
C4—C5 | 1.376 (5) | C29—C30 | 1.3900 |
C4—H4 | 0.9300 | C29—H29 | 0.9300 |
C5—C6 | 1.368 (6) | C30—C31 | 1.3900 |
C5—H5 | 0.9300 | C30—H30 | 0.9300 |
C6—C7 | 1.366 (5) | C31—H31 | 0.9300 |
C6—H6 | 0.9300 | C32—C33 | 1.3900 |
C7—H7 | 0.9300 | C32—H32 | 0.9300 |
C8—C9 | 1.483 (4) | C33—C34 | 1.3900 |
C8—C10 | 1.473 (5) | C33—H33 | 0.9300 |
C9—H9A | 0.9600 | C34—C35 | 1.3900 |
C9—H9B | 0.9600 | C34—H34 | 0.9300 |
C9—H9C | 0.9600 | C35—C36 | 1.3900 |
C10—C11 | 1.489 (4) | C35—C40 | 1.3900 |
C11—H11A | 0.9600 | C36—C37 | 1.3900 |
C11—H11B | 0.9600 | C37—C38 | 1.3900 |
C11—H11C | 0.9600 | C37—H37 | 0.9300 |
C12—C13 | 1.398 (5) | C38—C39 | 1.3900 |
C12—H12 | 0.9300 | C38—H38 | 0.9300 |
C13—C14 | 1.335 (5) | C39—C40 | 1.3900 |
C13—H13 | 0.9300 | C39—H39 | 0.9300 |
C14—C15 | 1.390 (5) | C40—H40 | 0.9300 |
C14—H14 | 0.9300 | ||
N2—Zn1—N3 | 72.1 (1) | C17—C16—C15 | 119.8 (3) |
N2—Zn1—N4 | 125.3 (1) | C17—C18—C19 | 121.0 (4) |
N2—Zn1—O1 | 75.73 (9) | C17—C18—H18 | 119.5 |
N4—Zn1—O1 | 102.17 (9) | C18—C17—C16 | 119.4 (3) |
N4—Zn1—N3 | 100.87 (9) | C18—C17—H17 | 120.3 |
O1—Zn1—N3 | 147.34 (9) | C18—C19—H19 | 119.6 |
O3—Zn1—N2 | 127.9 (1) | C19—C18—H18 | 119.5 |
O3—Zn1—N3 | 97.5 (1) | C19—C20—C15 | 120.5 (3) |
O3—Zn1—N4 | 106.7 (1) | C19—C20—H20 | 119.7 |
O3—Zn1—O1 | 97.68 (9) | C20—C19—C18 | 120.8 (4) |
N1—N2—Zn1 | 116.85 (19) | C20—C19—H19 | 119.6 |
N1—C1—C2 | 115.4 (2) | C21—O3—Zn1 | 128.8 (2) |
N2—N1—H1 | 125.2 | C21—C22—H22A | 109.5 |
N2—C8—C9 | 124.0 (3) | C21—C22—H22B | 109.5 |
N2—C8—C10 | 114.0 (3) | C21—C22—H22C | 109.5 |
N3—C10—C8 | 114.0 (3) | C23—N6—C27 | 120.0 |
N3—C10—C11 | 123.8 (3) | C23—C24—C25 | 120.0 |
N4—C12—C13 | 123.5 (3) | C23—C24—H24 | 120.0 |
N4—C16—C15 | 120.6 (3) | C24—C23—N6 | 120.0 |
N4—C16—C17 | 119.6 (2) | C24—C23—H23 | 120.0 |
N4—C12—H12 | 118.2 | C24—C25—H25 | 120.0 |
N6—C23—H23 | 120.0 | C25—C24—H24 | 120.0 |
N7—C32—C33 | 120.0 | C25—C26—C31 | 120.0 |
N7—C32—H32 | 120.0 | C26—C25—C24 | 120.0 |
O1—C1—N1 | 125.4 (3) | C26—C25—H25 | 120.0 |
O1—C1—C2 | 119.2 (3) | C26—C27—N6 | 120.0 |
O2—N3—Zn1 | 126.1 (2) | C26—C31—H31 | 120.0 |
O4—C21—O3 | 125.0 (3) | C27—C26—C25 | 120.0 |
O4—C21—C22 | 119.3 (3) | C27—C26—C31 | 120.0 |
C1—N1—N2 | 110.0 (2) | C27—C28—H28 | 120.0 |
C1—N1—H1 | 125.2 | C28—C27—N6 | 120.0 |
C1—O1—Zn1 | 112.1 (2) | C28—C27—C26 | 120.0 |
C2—C3—H3 | 119.7 | C28—C29—C30 | 120.0 |
C2—C7—H7 | 119.6 | C28—C29—H29 | 120.0 |
C3—C2—C1 | 119.8 (3) | C29—C28—C27 | 120.0 |
C3—C4—H4 | 120.1 | C29—C28—H28 | 120.0 |
C4—C3—C2 | 120.5 (3) | C29—C30—H30 | 120.0 |
C4—C3—H3 | 119.7 | C30—C29—H29 | 120.0 |
C4—C5—H5 | 120.0 | C30—C31—C26 | 120.0 |
C5—C4—C3 | 119.8 (4) | C30—C31—H31 | 120.0 |
C5—C4—H4 | 120.1 | C31—C30—C29 | 120.0 |
C5—C6—H6 | 119.9 | C31—C30—H30 | 120.0 |
C6—C5—C4 | 120.0 (4) | C32—N7—C36 | 120.0 |
C6—C5—H5 | 120.0 | C32—C33—H33 | 120.0 |
C6—C7—C2 | 120.8 (4) | C33—C32—H32 | 120.0 |
C6—C7—H7 | 119.6 | C33—C34—C35 | 120.0 |
C7—C2—C1 | 121.6 (3) | C33—C34—H34 | 120.0 |
C7—C2—C3 | 118.6 (3) | C34—C33—C32 | 120.0 |
C7—C6—C5 | 120.3 (3) | C34—C33—H33 | 120.0 |
C7—C6—H6 | 119.9 | C34—C35—C36 | 120.0 |
C8—N2—Zn1 | 122.8 (2) | C34—C35—C40 | 120.0 |
C8—N2—N1 | 119.9 (2) | C35—C34—H34 | 120.0 |
C8—C9—H9A | 109.5 | C35—C36—N7 | 120.0 |
C8—C9—H9B | 109.5 | C35—C40—H40 | 120.0 |
C8—C9—H9C | 109.5 | C36—C35—C40 | 120.0 |
C8—C10—C11 | 122.1 (3) | C36—C37—C38 | 120.0 |
C10—N3—Zn1 | 116.5 (2) | C36—C37—H37 | 120.0 |
C10—N3—O2 | 117.0 (3) | C37—C36—N7 | 120.0 |
C10—C8—C9 | 121.9 (3) | C37—C36—C35 | 120.0 |
C10—C11—H11A | 109.5 | C37—C38—H38 | 120.0 |
C10—C11—H11B | 109.5 | C38—C37—H37 | 120.0 |
C10—C11—H11C | 109.5 | C38—C39—C40 | 120.0 |
C12—N4—Zn1 | 117.1 (2) | C38—C39—H39 | 120.0 |
C12—N4—C16 | 117.9 (3) | C39—C38—C37 | 120.0 |
C12—C13—H13 | 120.2 | C39—C38—H38 | 120.0 |
C13—C12—H12 | 118.2 | C39—C40—C35 | 120.0 |
C13—C14—C15 | 119.5 (3) | C39—C40—H40 | 120.0 |
C13—C14—H14 | 120.3 | C40—C39—H39 | 120.0 |
C14—C13—C12 | 119.6 (3) | H9A—C9—H9B | 109.5 |
C14—C13—H13 | 120.2 | H9A—C9—H9C | 109.5 |
C14—C15—C16 | 118.9 (3) | H9B—C9—H9C | 109.5 |
C14—C15—C20 | 122.6 (3) | H11A—C11—H11B | 109.5 |
C15—C14—H14 | 120.3 | H11A—C11—H11C | 109.5 |
C15—C20—H20 | 119.7 | H11B—C11—H11C | 109.5 |
C16—N4—Zn1 | 124.6 (2) | H22A—C22—H22B | 109.5 |
C16—C15—C20 | 118.5 (3) | H22A—C22—H22C | 109.5 |
C16—C17—H17 | 120.3 | H22B—C22—H22C | 109.5 |
Zn1—N2—C8—C9 | 175.4 (2) | C1—N1—N2—Zn1 | 0.4 (3) |
Zn1—N2—C8—C10 | −1.9 (3) | C1—N1—N2—C8 | 176.1 (3) |
Zn1—N3—C10—C8 | −8.4 (3) | C1—C2—C3—C4 | −179.1 (3) |
Zn1—N3—C10—C11 | 174.4 (2) | C1—C2—C7—C6 | 179.8 (3) |
Zn1—N4—C12—C13 | −172.1 (3) | C2—C3—C4—C5 | −1.0 (6) |
Zn1—N4—C16—C15 | 171.2 (2) | C3—C2—C7—C6 | 0.6 (5) |
Zn1—N4—C16—C17 | −7.8 (4) | C3—C4—C5—C6 | 1.3 (6) |
Zn1—O1—C1—N1 | −0.7 (4) | C4—C5—C6—C7 | −0.6 (7) |
Zn1—O1—C1—C2 | 178.7 (2) | C5—C6—C7—C2 | −0.4 (7) |
Zn1—O3—C21—O4 | 7.8 (5) | C7—C2—C3—C4 | 0.1 (5) |
Zn1—O3—C21—C22 | −173.3 (3) | C9—C8—C10—N3 | −170.4 (3) |
N1—N2—C8—C9 | 0.5 (4) | C9—C8—C10—C11 | 6.8 (4) |
N1—N2—C8—C10 | −177.1 (3) | C12—N4—C16—C15 | −1.0 (4) |
N1—C1—C2—C3 | 179.7 (3) | C12—N4—C16—C17 | 180.0 (3) |
N1—C1—C2—C7 | 0.1 (4) | C12—C13—C14—C15 | −1.4 (5) |
N2—Zn1—N3—O2 | 177.8 (2) | C13—C14—C15—C16 | 1.1 (5) |
N2—Zn1—N3—C10 | 5.8 (2) | C13—C14—C15—C20 | 179.6 (3) |
N2—Zn1—N4—C16 | 25.6 (3) | C14—C15—C16—N4 | 0.2 (4) |
N2—Zn1—O1—C1 | 0.9 (2) | C14—C15—C16—C17 | 179.2 (3) |
N2—Zn1—O3—C21 | 106.8 (3) | C14—C15—C20—C19 | −178.7 (4) |
N2—N1—C1—O1 | 0.4 (4) | C15—C16—C17—C18 | −0.7 (5) |
N2—N1—C1—C2 | −179.2 (2) | C16—N4—C12—C13 | 0.6 (5) |
N2—C8—C10—N3 | 6.9 (4) | C16—C15—C20—C19 | −0.1 (5) |
N2—C8—C10—C11 | −175.9 (3) | C16—C17—C18—C19 | 0.4 (6) |
N3—Zn1—N2—N1 | 173.6 (2) | C17—C18—C19—C20 | 0.1 (7) |
N3—Zn1—N2—C8 | −1.7 (2) | C18—C19—C20—C15 | −0.2 (7) |
N3—Zn1—N4—C12 | −86.5 (2) | C20—C15—C16—N4 | −178.4 (3) |
N3—Zn1—N4—C16 | 101.3 (2) | C20—C15—C16—C17 | 0.6 (4) |
N3—Zn1—O1—C1 | −9.3 (3) | C23—N6—C27—C26 | 0.0 |
N3—Zn1—O3—C21 | 33.6 (3) | C23—N6—C27—C28 | 180.0 |
N4—Zn1—N2—N1 | −95.6 (2) | C23—C24—C25—C26 | 0.0 |
N4—Zn1—N2—C8 | 89.1 (2) | C24—C25—C26—C27 | 0.0 |
N4—Zn1—N3—O2 | 54.0 (2) | C24—C25—C26—C31 | 180.0 |
N4—Zn1—N3—C10 | −118.1 (2) | C25—C26—C27—N6 | 0.0 |
N4—Zn1—O1—C1 | 124.6 (2) | C25—C26—C27—C28 | 180.0 |
N4—Zn1—O3—C21 | −70.1 (3) | C25—C26—C31—C30 | 180.0 |
N4—C12—C13—C14 | 0.6 (6) | C26—C27—C28—C29 | 0.0 |
N4—C16—C17—C18 | 178.3 (3) | C27—N6—C23—C24 | 0.0 |
N6—C23—C24—C25 | 0.0 | C27—C26—C31—C30 | 0.0 |
N6—C27—C28—C29 | 180.0 | C27—C28—C29—C30 | 0.0 |
N7—C32—C33—C34 | 0.0 | C28—C29—C30—C31 | 0.0 |
N7—C36—C37—C38 | 180.0 | C29—C30—C31—C26 | 0.0 |
O1—Zn1—N2—N1 | −0.7 (2) | C31—C26—C27—N6 | 180.0 |
O1—Zn1—N2—C8 | −176.0 (2) | C31—C26—C27—C28 | 0.0 |
O1—Zn1—N3—O2 | −171.8 (2) | C32—N7—C36—C35 | 0.0 |
O1—Zn1—N3—C10 | 16.2 (3) | C32—N7—C36—C37 | 180.0 |
O1—Zn1—N4—C12 | 116.8 (2) | C32—C33—C34—C35 | 0.0 |
O1—Zn1—N4—C16 | −55.4 (2) | C33—C34—C35—C36 | 0.0 |
O1—Zn1—O3—C21 | −175.4 (3) | C33—C34—C35—C40 | 180.0 |
O1—C1—C2—C3 | −0.1 (4) | C34—C35—C36—N7 | 0.0 |
O1—C1—C2—C7 | −179.3 (3) | C34—C35—C36—C37 | 180.0 |
O2—N3—C10—C8 | 178.8 (2) | C34—C35—C40—C39 | 180.0 |
O2—N3—C10—C11 | 1.7 (4) | C35—C36—C37—C38 | 0.0 |
O3—Zn1—N2—N1 | 88.0 (2) | C36—N7—C32—C33 | 0.0 |
O3—Zn1—N2—C8 | −87.3 (2) | C36—C35—C40—C39 | 0.0 |
O3—Zn1—N3—O2 | −54.7 (2) | C36—C37—C38—C39 | 0.0 |
O3—Zn1—N3—C10 | 133.3 (2) | C37—C38—C39—C40 | 0.0 |
O3—Zn1—N4—C12 | 14.8 (2) | C38—C39—C40—C35 | 0.0 |
O3—Zn1—N4—C16 | −157.4 (2) | C40—C35—C36—N7 | 180.0 |
O3—Zn1—O1—C1 | −126.4 (2) | C40—C35—C36—C37 | 0.0 |
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