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metal-organic compounds
In the crystal structure of the title compound, [Zn2(C13H4NO1.67S0.33)4], the ring O atom in the benz(oxa/thia)zolyl-2-phenolate anions is disordered with respect to the S atom. The anions chelate to the Zn atom; the phenoxy O atom of two of them is also bridged to an adjacent molecule so that the geometry of the Zn atom in the centrosymmetric dimer is a trigonal bipyramid.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804000509/bt6389sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804000509/bt6389Isup2.hkl |
CCDC reference: 234796
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (C-C) = 0.006 Å
- R factor = 0.047
- wR factor = 0.115
- Data-to-parameter ratio = 13.8
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... ? PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms .. ? PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.18 Ratio PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C10 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C22 PLAT301_ALERT_3_C Main Residue Disorder ......................... 6.00 Perc. PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond C8 - C9 = 1.34 Ang. PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond C8 - C13 = 1.36 Ang. PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond C21 - C22 = 1.34 Ang. PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond C21 - C26 = 1.35 Ang.
Alert level G FORMU01_ALERT_1_G There is a discrepancy between the atom counts in the _chemical_formula_sum and _chemical_formula_moiety. This is usually due to the moiety formula being in the wrong format. Atom count from _chemical_formula_sum: C52 H32 N4 O6.67 S1.33 Zn2 Atom count from _chemical_formula_moiety:C520 H320 N40 O66.8 S13.2 FORMU01_ALERT_2_G There is a discrepancy between the atom counts in the _chemical_formula_sum and the formula from the _atom_site* data. Atom count from _chemical_formula_sum:C52 H32 N4 O6.67 S1.33 Zn2 Atom count from the _atom_site data: C52 H32 N4 O6.68 S1.32 Zn2
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 13 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 8 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion
Computing details top
Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; 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[µ-2-benz(oxa/thia)zolyl-2-phenolato-κ3N,O:O]bis{bis[2- benz(oxa/thia)zolyl-2-phenolato-κ2N,O]zinc(II)} top
Crystal data top
[Zn2(C13H4NO1.67S0.33)4] | Z = 1 |
Mr = 992.96 | F(000) = 507 |
Triclinic, P1 | Dx = 1.576 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 9.5356 (7) Å | Cell parameters from 3074 reflections |
b = 9.6262 (7) Å | θ = 2.6–24.6° |
c = 11.6413 (8) Å | µ = 1.28 mm−1 |
α = 81.701 (1)° | T = 293 K |
β = 82.397 (1)° | Block, green yellow |
γ = 85.453 (1)° | 0.23 × 0.10 × 0.09 mm |
V = 1046.1 (1) Å3 |
Data collection top
Bruker APEX area-detector diffractometer | 4180 independent reflections |
Radiation source: fine-focus sealed tube | 3423 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.021 |
φ and ω scans | θmax = 26.3°, θmin = 1.8° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −11→11 |
Tmin = 0.749, Tmax = 0.888 | k = −11→11 |
8361 measured reflections | l = −14→14 |
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)] = 0.047 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.115 | H-atom parameters constrained |
S = 0.99 | w = 1/[σ2(Fo2) + (0.0714P)2] where P = (Fo2 + 2Fc2)/3 |
4180 reflections | (Δ/σ)max < 0.001 |
304 parameters | Δρmax = 0.71 e Å−3 |
22 restraints | Δρmin = −0.37 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Zn1 | 0.41398 (4) | 0.43755 (4) | 0.41245 (3) | 0.0343 (1) | |
S1 | 0.0000 (5) | 0.7296 (7) | 0.4322 (3) | 0.054 (1) | 0.33 |
S2 | 0.2497 (7) | −0.0085 (5) | 0.4580 (4) | 0.066 (1) | 0.33 |
O1 | 0.0405 (7) | 0.7085 (9) | 0.4163 (4) | 0.054 (1) | 0.67 |
O2 | 0.279 (1) | 0.0256 (7) | 0.4664 (5) | 0.066 (1) | 0.67 |
O3 | 0.3921 (2) | 0.5024 (2) | 0.5780 (2) | 0.035 (1) | |
O4 | 0.4407 (2) | 0.3939 (3) | 0.2507 (2) | 0.046 (1) | |
N1 | 0.2498 (3) | 0.5956 (3) | 0.3844 (2) | 0.039 (1) | |
N2 | 0.3688 (3) | 0.2302 (3) | 0.4675 (2) | 0.040 (1) | |
C1 | 0.2715 (3) | 0.5309 (3) | 0.6438 (3) | 0.034 (1) | |
C2 | 0.2617 (3) | 0.5038 (4) | 0.7656 (3) | 0.043 (1) | |
C3 | 0.1370 (4) | 0.5327 (4) | 0.8348 (3) | 0.050 (1) | |
C4 | 0.0182 (4) | 0.5902 (4) | 0.7854 (3) | 0.054 (1) | |
C5 | 0.0245 (3) | 0.6181 (4) | 0.6671 (3) | 0.048 (1) | |
C6 | 0.1494 (3) | 0.5895 (3) | 0.5933 (3) | 0.037 (1) | |
C7 | 0.1517 (3) | 0.6265 (3) | 0.4686 (3) | 0.039 (1) | |
C8 | 0.0763 (4) | 0.7280 (4) | 0.2949 (3) | 0.057 (1) | |
C9 | −0.0004 (6) | 0.7938 (5) | 0.2123 (6) | 0.094 (2) | |
C10 | 0.0633 (8) | 0.7939 (6) | 0.1014 (6) | 0.107 (3) | |
C11 | 0.1973 (7) | 0.7285 (5) | 0.0782 (4) | 0.085 (2) | |
C12 | 0.2717 (4) | 0.6607 (4) | 0.1650 (3) | 0.056 (1) | |
C13 | 0.2052 (4) | 0.6588 (4) | 0.2785 (3) | 0.043 (1) | |
C14 | 0.3750 (3) | 0.3044 (4) | 0.2077 (3) | 0.041 (1) | |
C15 | 0.3697 (4) | 0.3212 (4) | 0.0850 (3) | 0.053 (1) | |
C16 | 0.3026 (5) | 0.2304 (5) | 0.0338 (4) | 0.061 (1) | |
C17 | 0.2379 (5) | 0.1182 (5) | 0.1007 (4) | 0.069 (1) | |
C18 | 0.2408 (4) | 0.0968 (4) | 0.2182 (4) | 0.058 (1) | |
C19 | 0.3074 (3) | 0.1884 (4) | 0.2747 (3) | 0.042 (1) | |
C20 | 0.3170 (3) | 0.1555 (3) | 0.3985 (3) | 0.042 (1) | |
C21 | 0.3116 (4) | 0.0232 (4) | 0.5797 (3) | 0.061 (1) | |
C22 | 0.2967 (6) | −0.0801 (6) | 0.6696 (7) | 0.107 (2) | |
C23 | 0.3496 (7) | −0.0549 (7) | 0.7670 (6) | 0.104 (3) | |
C24 | 0.4104 (6) | 0.0682 (6) | 0.7705 (4) | 0.081 (2) | |
C25 | 0.4223 (4) | 0.1736 (4) | 0.6760 (3) | 0.054 (1) | |
C26 | 0.3676 (3) | 0.1478 (4) | 0.5773 (3) | 0.043 (1) | |
H2 | 0.3407 | 0.4654 | 0.8006 | 0.051* | |
H3 | 0.1330 | 0.5132 | 0.9157 | 0.060* | |
H4 | −0.0655 | 0.6096 | 0.8327 | 0.064* | |
H5 | −0.0557 | 0.6572 | 0.6342 | 0.058* | |
H9 | −0.0904 | 0.8360 | 0.2299 | 0.112* | |
H10 | 0.0167 | 0.8386 | 0.0396 | 0.128* | |
H11 | 0.2379 | 0.7308 | 0.0008 | 0.102* | |
H12 | 0.3619 | 0.6184 | 0.1487 | 0.067* | |
H15 | 0.4132 | 0.3962 | 0.0381 | 0.063* | |
H16 | 0.3006 | 0.2447 | −0.0467 | 0.073* | |
H17 | 0.1922 | 0.0569 | 0.0654 | 0.083* | |
H18 | 0.1977 | 0.0198 | 0.2624 | 0.069* | |
H22 | 0.2537 | −0.1624 | 0.6659 | 0.129* | |
H23 | 0.3443 | −0.1229 | 0.8326 | 0.125* | |
H24 | 0.4450 | 0.0815 | 0.8389 | 0.097* | |
H25 | 0.4645 | 0.2567 | 0.6787 | 0.064* |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Zn1 | 0.0300 (2) | 0.0398 (2) | 0.0351 (2) | −0.0038 (1) | −0.0056 (1) | −0.0096 (2) |
S1 | 0.041 (3) | 0.066 (2) | 0.054 (1) | −0.004 (2) | 0.013 (1) | −0.024 (1) |
S2 | 0.065 (3) | 0.073 (3) | 0.076 (2) | −0.001 (2) | −0.030 (1) | −0.047 (2) |
O1 | 0.041 (3) | 0.066 (2) | 0.054 (1) | −0.004 (2) | 0.013 (1) | −0.024 (1) |
O2 | 0.065 (3) | 0.073 (3) | 0.076 (2) | −0.001 (2) | −0.030 (1) | −0.047 (2) |
O3 | 0.025 (1) | 0.047 (1) | 0.034 (1) | −0.003 (1) | −0.003 (1) | −0.012 (1) |
O4 | 0.046 (1) | 0.058 (2) | 0.038 (1) | −0.015 (1) | −0.002 (1) | −0.015 (1) |
N1 | 0.037 (1) | 0.042 (2) | 0.039 (2) | −0.004 (1) | −0.007 (1) | −0.005 (1) |
N2 | 0.039 (1) | 0.042 (2) | 0.039 (2) | −0.001 (1) | −0.005 (1) | −0.006 (1) |
C1 | 0.031 (2) | 0.037 (2) | 0.035 (2) | −0.009 (1) | −0.001 (1) | −0.011 (1) |
C2 | 0.036 (2) | 0.053 (2) | 0.039 (2) | −0.007 (2) | −0.003 (1) | −0.006 (2) |
C3 | 0.049 (2) | 0.061 (2) | 0.040 (2) | −0.012 (2) | 0.005 (2) | −0.012 (2) |
C4 | 0.039 (2) | 0.068 (3) | 0.054 (2) | −0.004 (2) | 0.010 (2) | −0.022 (2) |
C5 | 0.031 (2) | 0.056 (2) | 0.058 (2) | 0.004 (2) | −0.002 (2) | −0.016 (2) |
C6 | 0.033 (2) | 0.038 (2) | 0.041 (2) | −0.004 (1) | −0.004 (1) | −0.010 (1) |
C7 | 0.030 (2) | 0.038 (2) | 0.051 (2) | −0.003 (1) | −0.011 (1) | −0.009 (2) |
C8 | 0.045 (2) | 0.047 (2) | 0.081 (3) | −0.005 (2) | −0.013 (2) | −0.016 (2) |
C9 | 0.074 (3) | 0.056 (3) | 0.160 (6) | 0.006 (2) | −0.071 (4) | 0.003 (4) |
C10 | 0.140 (6) | 0.063 (3) | 0.130 (5) | −0.028 (4) | −0.103 (5) | 0.033 (4) |
C11 | 0.139 (5) | 0.070 (3) | 0.050 (3) | −0.044 (3) | −0.038 (3) | 0.019 (2) |
C12 | 0.063 (2) | 0.057 (2) | 0.046 (2) | −0.013 (2) | −0.006 (2) | 0.000 (2) |
C13 | 0.045 (2) | 0.039 (2) | 0.047 (2) | −0.006 (2) | −0.017 (2) | −0.002 (2) |
C14 | 0.036 (2) | 0.047 (2) | 0.043 (2) | 0.003 (2) | −0.005 (1) | −0.018 (2) |
C15 | 0.057 (2) | 0.061 (2) | 0.042 (2) | −0.001 (2) | −0.005 (2) | −0.016 (2) |
C16 | 0.083 (3) | 0.061 (3) | 0.047 (2) | 0.005 (2) | −0.021 (2) | −0.023 (2) |
C17 | 0.088 (3) | 0.058 (3) | 0.076 (3) | −0.004 (2) | −0.041 (3) | −0.030 (2) |
C18 | 0.064 (2) | 0.041 (2) | 0.074 (3) | −0.008 (2) | −0.024 (2) | −0.012 (2) |
C19 | 0.041 (2) | 0.042 (2) | 0.047 (2) | 0.004 (2) | −0.012 (2) | −0.015 (2) |
C20 | 0.039 (2) | 0.034 (2) | 0.053 (2) | 0.002 (1) | −0.005 (2) | −0.009 (2) |
C21 | 0.051 (2) | 0.045 (2) | 0.087 (3) | 0.002 (2) | 0.000 (2) | −0.019 (2) |
C22 | 0.086 (4) | 0.042 (3) | 0.171 (7) | −0.001 (3) | 0.026 (4) | 0.023 (4) |
C23 | 0.100 (4) | 0.072 (4) | 0.102 (5) | 0.037 (3) | 0.040 (4) | 0.046 (4) |
C24 | 0.092 (4) | 0.092 (4) | 0.044 (2) | 0.048 (3) | −0.002 (2) | 0.002 (2) |
C25 | 0.060 (2) | 0.052 (2) | 0.045 (2) | 0.010 (2) | −0.006 (2) | −0.005 (2) |
C26 | 0.042 (2) | 0.038 (2) | 0.045 (2) | 0.001 (2) | 0.003 (2) | −0.006 (2) |
Geometric parameters (Å, º) top
Zn1—O3 | 2.090 (2) | C12—C13 | 1.386 (5) |
Zn1—O3i | 2.002 (2) | C14—C19 | 1.415 (5) |
Zn1—O4 | 1.967 (2) | C14—C15 | 1.421 (5) |
Zn1—N1 | 2.119 (3) | C15—C16 | 1.367 (5) |
Zn1—N2 | 2.068 (3) | C16—C17 | 1.374 (6) |
S1—C8 | 1.668 (4) | C17—C18 | 1.358 (6) |
S1—C7 | 1.752 (4) | C18—C19 | 1.407 (5) |
S2—C21 | 1.680 (4) | C19—C20 | 1.444 (5) |
S2—C20 | 1.763 (4) | C21—C22 | 1.337 (7) |
O1—C8 | 1.399 (6) | C21—C26 | 1.346 (5) |
O1—C7 | 1.420 (6) | C22—C23 | 1.359 (9) |
O2—C21 | 1.390 (6) | C23—C24 | 1.368 (9) |
O2—C20 | 1.424 (6) | C24—C25 | 1.384 (6) |
O3—C1 | 1.327 (3) | C25—C26 | 1.384 (5) |
O4—C14 | 1.296 (4) | C2—H2 | 0.93 |
N1—C7 | 1.312 (4) | C3—H3 | 0.93 |
N1—C13 | 1.397 (4) | C4—H4 | 0.93 |
N2—C20 | 1.318 (4) | C5—H5 | 0.93 |
N2—C26 | 1.402 (4) | C9—H9 | 0.93 |
C1—C2 | 1.396 (4) | C10—H10 | 0.93 |
C1—C6 | 1.414 (4) | C11—H11 | 0.93 |
C2—C3 | 1.378 (5) | C12—H12 | 0.93 |
C3—C4 | 1.379 (5) | C15—H15 | 0.93 |
C4—C5 | 1.359 (5) | C16—H16 | 0.93 |
C5—C6 | 1.407 (4) | C17—H17 | 0.93 |
C6—C7 | 1.442 (4) | C18—H18 | 0.93 |
C8—C9 | 1.340 (6) | C22—H22 | 0.93 |
C8—C13 | 1.355 (5) | C23—H23 | 0.93 |
C9—C10 | 1.352 (9) | C24—H24 | 0.93 |
C10—C11 | 1.390 (9) | C25—H25 | 0.93 |
C11—C12 | 1.370 (6) | ||
O3—Zn1—O3i | 77.4 (1) | C15—C16—C17 | 120.4 (4) |
O3—Zn1—O4 | 174.7 (1) | C18—C17—C16 | 120.0 (4) |
O3—Zn1—N1 | 82.9 (1) | C17—C18—C19 | 121.5 (4) |
O3—Zn1—N2 | 97.1 (1) | C18—C19—C14 | 119.5 (3) |
O3i—Zn1—O4 | 99.5 (1) | C18—C19—C20 | 119.4 (3) |
O3i—Zn1—N1 | 118.2 (1) | C14—C19—C20 | 120.8 (3) |
O3i—Zn1—N2 | 119.2 (1) | N2—C20—O2 | 107.4 (3) |
O4—Zn1—N1 | 94.9 (1) | N2—C20—C19 | 128.5 (3) |
O4—Zn1—N2 | 88.2 (1) | O2—C20—C19 | 123.9 (3) |
N1—Zn1—N2 | 121.0 (1) | N2—C20—S2 | 119.1 (3) |
C8—S1—C7 | 84.2 (2) | C19—C20—S2 | 112.4 (3) |
C21—S2—C20 | 83.7 (2) | C22—C21—C26 | 127.3 (5) |
C8—O1—C7 | 109.0 (4) | C22—C21—O2 | 128.7 (5) |
C21—O2—C20 | 109.5 (4) | C26—C21—O2 | 103.9 (4) |
C1—O3—Zn1i | 128.6 (2) | C22—C21—S2 | 114.9 (5) |
C1—O3—Zn1 | 126.7 (2) | C26—C21—S2 | 117.7 (4) |
Zn1i—O3—Zn1 | 102.6 (1) | C21—C22—C23 | 114.6 (6) |
C14—O4—Zn1 | 127.5 (2) | C22—C23—C24 | 121.4 (5) |
C7—N1—C13 | 107.6 (3) | C23—C24—C25 | 122.4 (5) |
C7—N1—Zn1 | 122.3 (2) | C26—C25—C24 | 116.0 (4) |
C13—N1—Zn1 | 128.5 (2) | C21—C26—C25 | 118.3 (4) |
C20—N2—C26 | 107.0 (3) | C21—C26—N2 | 112.2 (3) |
C20—N2—Zn1 | 121.0 (2) | C25—C26—N2 | 129.4 (3) |
C26—N2—Zn1 | 131.5 (2) | C3—C2—H2 | 119.4 |
O3—C1—C2 | 120.7 (3) | C1—C2—H2 | 119.4 |
O3—C1—C6 | 121.4 (3) | C4—C3—H3 | 119.6 |
C2—C1—C6 | 117.9 (3) | C2—C3—H3 | 119.6 |
C3—C2—C1 | 121.2 (3) | C5—C4—H4 | 120.3 |
C4—C3—C2 | 120.8 (3) | C3—C4—H4 | 120.3 |
C5—C4—C3 | 119.4 (3) | C4—C5—H5 | 119.2 |
C4—C5—C6 | 121.7 (3) | C6—C5—H5 | 119.2 |
C5—C6—C1 | 119.0 (3) | C8—C9—H9 | 122.6 |
C5—C6—C7 | 119.2 (3) | C10—C9—H9 | 122.6 |
C1—C6—C7 | 121.7 (3) | C9—C10—H10 | 119.4 |
N1—C7—O1 | 107.8 (3) | C11—C10—H10 | 119.4 |
N1—C7—C6 | 129.1 (3) | C12—C11—H11 | 118.8 |
O1—C7—C6 | 123.1 (3) | C10—C11—H11 | 118.8 |
N1—C7—S1 | 119.0 (3) | C11—C12—H12 | 121.9 |
C6—C7—S1 | 112.0 (3) | C13—C12—H12 | 121.9 |
C9—C8—C13 | 127.3 (4) | C16—C15—H15 | 119.0 |
C9—C8—O1 | 128.7 (5) | C14—C15—H15 | 119.0 |
C13—C8—O1 | 103.9 (4) | C15—C16—H16 | 119.8 |
C9—C8—S1 | 115.2 (4) | C17—C16—H16 | 119.8 |
C13—C8—S1 | 117.5 (3) | C18—C17—H17 | 120.0 |
C8—C9—C10 | 114.7 (5) | C16—C17—H17 | 120.0 |
C9—C10—C11 | 121.1 (5) | C17—C18—H18 | 119.2 |
C12—C11—C10 | 122.5 (5) | C19—C18—H18 | 119.2 |
C11—C12—C13 | 116.3 (4) | C21—C22—H22 | 122.7 |
C8—C13—C12 | 118.1 (3) | C23—C22—H22 | 122.7 |
C8—C13—N1 | 111.6 (3) | C22—C23—H23 | 119.3 |
C12—C13—N1 | 130.3 (3) | C24—C23—H23 | 119.3 |
O4—C14—C19 | 124.4 (3) | C23—C24—H24 | 118.8 |
O4—C14—C15 | 119.0 (3) | C25—C24—H24 | 118.8 |
C19—C14—C15 | 116.6 (3) | C26—C25—H25 | 122.0 |
C16—C15—C14 | 122.0 (4) | C24—C25—H25 | 122.0 |
O3i—Zn1—O3—C1 | 164.2 (3) | C9—C10—C11—C12 | 0.1 (8) |
N2—Zn1—O3—C1 | −77.4 (3) | C10—C11—C12—C13 | 0.9 (7) |
N1—Zn1—O3—C1 | 43.1 (2) | C9—C8—C13—C12 | 3.9 (6) |
O3i—Zn1—O3—Zn1i | 0.0 | O1—C8—C13—C12 | −178.9 (5) |
N2—Zn1—O3—Zn1i | 118.4 (1) | S1—C8—C13—C12 | −177.9 (4) |
N1—Zn1—O3—Zn1i | −121.1 (1) | C9—C8—C13—N1 | −176.4 (4) |
O3i—Zn1—O4—C14 | 152.1 (3) | O1—C8—C13—N1 | 0.9 (6) |
N2—Zn1—O4—C14 | 32.8 (3) | S1—C8—C13—N1 | 1.9 (5) |
N1—Zn1—O4—C14 | −88.2 (3) | C11—C12—C13—C8 | −2.7 (6) |
O4—Zn1—N1—C7 | 152.5 (3) | C11—C12—C13—N1 | 177.7 (4) |
O3i—Zn1—N1—C7 | −104.0 (3) | C7—N1—C13—C8 | −1.3 (4) |
N2—Zn1—N1—C7 | 61.6 (3) | Zn1—N1—C13—C8 | 164.2 (2) |
O3—Zn1—N1—C7 | −32.4 (3) | C7—N1—C13—C12 | 178.4 (4) |
O4—Zn1—N1—C13 | −11.2 (3) | Zn1—N1—C13—C12 | −16.1 (5) |
O3i—Zn1—N1—C13 | 92.4 (3) | Zn1—O4—C14—C19 | −22.6 (5) |
N2—Zn1—N1—C13 | −102.0 (3) | Zn1—O4—C14—C15 | 157.7 (2) |
O3—Zn1—N1—C13 | 164.0 (3) | O4—C14—C15—C16 | 179.8 (3) |
O4—Zn1—N2—C20 | −26.3 (2) | C19—C14—C15—C16 | 0.1 (5) |
O3i—Zn1—N2—C20 | −126.3 (2) | C14—C15—C16—C17 | −0.3 (6) |
O3—Zn1—N2—C20 | 154.2 (2) | C15—C16—C17—C18 | −0.1 (7) |
N1—Zn1—N2—C20 | 68.3 (3) | C16—C17—C18—C19 | 0.8 (7) |
O4—Zn1—N2—C26 | 162.0 (3) | C17—C18—C19—C14 | −1.0 (6) |
O3i—Zn1—N2—C26 | 62.1 (3) | C17—C18—C19—C20 | −175.4 (4) |
O3—Zn1—N2—C26 | −17.4 (3) | O4—C14—C19—C18 | −179.2 (3) |
N1—Zn1—N2—C26 | −103.4 (3) | C15—C14—C19—C18 | 0.5 (5) |
Zn1i—O3—C1—C2 | −52.7 (4) | O4—C14—C19—C20 | −4.9 (5) |
Zn1—O3—C1—C2 | 147.2 (2) | C15—C14—C19—C20 | 174.8 (3) |
Zn1i—O3—C1—C6 | 127.2 (3) | C26—N2—C20—O2 | 1.4 (5) |
Zn1—O3—C1—C6 | −32.9 (4) | Zn1—N2—C20—O2 | −172.1 (5) |
O3—C1—C2—C3 | −179.9 (3) | C26—N2—C20—C19 | −174.2 (3) |
C6—C1—C2—C3 | 0.2 (5) | Zn1—N2—C20—C19 | 12.4 (5) |
C1—C2—C3—C4 | −0.3 (6) | C26—N2—C20—S2 | 5.2 (4) |
C2—C3—C4—C5 | 0.1 (6) | Zn1—N2—C20—S2 | −168.3 (3) |
C3—C4—C5—C6 | 0.2 (6) | C21—O2—C20—N2 | −0.5 (8) |
C4—C5—C6—C1 | −0.4 (5) | C21—O2—C20—C19 | 175.2 (4) |
C4—C5—C6—C7 | −177.6 (3) | C18—C19—C20—N2 | −176.6 (3) |
O3—C1—C6—C5 | −179.8 (3) | C14—C19—C20—N2 | 9.1 (5) |
C2—C1—C6—C5 | 0.2 (5) | C18—C19—C20—O2 | 8.5 (7) |
O3—C1—C6—C7 | −2.6 (5) | C14—C19—C20—O2 | −165.8 (6) |
C2—C1—C6—C7 | 177.3 (3) | C18—C19—C20—S2 | 4.0 (5) |
C13—N1—C7—O1 | 1.2 (5) | C14—C19—C20—S2 | −170.3 (4) |
Zn1—N1—C7—O1 | −165.5 (5) | C21—S2—C20—N2 | −5.4 (5) |
C13—N1—C7—C6 | −178.2 (3) | C21—S2—C20—C19 | 174.0 (3) |
Zn1—N1—C7—C6 | 15.2 (5) | C20—O2—C21—C22 | −178.0 (5) |
C13—N1—C7—S1 | 0.4 (5) | C20—O2—C21—C26 | −0.6 (8) |
Zn1—N1—C7—S1 | −166.2 (3) | C20—S2—C21—C22 | −177.0 (4) |
C8—O1—C7—N1 | −0.7 (8) | C20—S2—C21—C26 | 4.0 (5) |
C8—O1—C7—C6 | 178.7 (4) | C20—S2—C21—O2 | −11 (2) |
C5—C6—C7—N1 | −171.6 (3) | C26—C21—C22—C23 | −2.4 (8) |
C1—C6—C7—N1 | 11.2 (5) | O2—C21—C22—C23 | 174.5 (7) |
C5—C6—C7—O1 | 9.1 (7) | S2—C21—C22—C23 | 178.7 (5) |
C1—C6—C7—O1 | −168.0 (5) | C21—C22—C23—C24 | 1.0 (8) |
C5—C6—C7—S1 | 9.7 (5) | C22—C23—C24—C25 | −0.3 (8) |
C1—C6—C7—S1 | −167.4 (4) | C23—C24—C25—C26 | 0.6 (6) |
C8—S1—C7—N1 | 0.5 (5) | C22—C21—C26—C25 | 2.8 (6) |
C8—S1—C7—O1 | −3 (3) | O2—C21—C26—C25 | −174.7 (5) |
C8—S1—C7—C6 | 179.3 (3) | S2—C21—C26—C25 | −178.3 (4) |
C7—O1—C8—C9 | 177.1 (5) | C22—C21—C26—N2 | 178.9 (4) |
C7—O1—C8—C13 | −0.1 (7) | O2—C21—C26—N2 | 1.4 (6) |
C7—O1—C8—S1 | −176 (3) | S2—C21—C26—N2 | −2.2 (5) |
C7—S1—C8—C9 | 177.2 (4) | C24—C25—C26—C21 | −1.7 (5) |
C7—S1—C8—C13 | −1.3 (5) | C24—C25—C26—N2 | −177.0 (3) |
C7—S1—C8—O1 | 3 (3) | C20—N2—C26—C21 | −1.8 (4) |
C13—C8—C9—C10 | −2.8 (7) | Zn1—N2—C26—C21 | 170.6 (2) |
O1—C8—C9—C10 | −179.4 (7) | C20—N2—C26—C25 | 173.7 (3) |
S1—C8—C9—C10 | 178.9 (5) | Zn1—N2—C26—C25 | −13.8 (5) |
C8—C9—C10—C11 | 0.7 (8) |
Symmetry code: (i) −x+1, −y+1, −z+1. |
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