Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680503552X/ci6692sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S160053680503552X/ci6692Isup2.hkl |
CCDC reference: 281782
Data collection: SMART (Bruker, 1998); cell refinement: SMART; data reduction: SAINT (Bruker, 1998); 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.
[Zn(C13H15BrNO)2] | F(000) = 2528 |
Mr = 627.71 | Dx = 1.629 Mg m−3 |
Orthorhombic, Pbca | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ac 2ab | Cell parameters from 5469 reflections |
a = 14.983 (1) Å | θ = 2.5–23.7° |
b = 13.587 (1) Å | µ = 4.11 mm−1 |
c = 25.143 (2) Å | T = 298 K |
V = 5118.5 (7) Å3 | Block, colourless |
Z = 8 | 0.18 × 0.13 × 0.09 mm |
Bruker SMART CCD area-detector diffractometer | 5837 independent reflections |
Radiation source: fine-focus sealed tube | 3518 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.069 |
ω scans | θmax = 27.5°, θmin = 1.6° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −19→19 |
Tmin = 0.525, Tmax = 0.709 | k = −17→17 |
41942 measured reflections | l = −32→31 |
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) = 0.131 | H-atom parameters constrained |
S = 1.02 | w = 1/[σ2(Fo2) + (0.0481P)2 + 6.6703P] where P = (Fo2 + 2Fc2)/3 |
5837 reflections | (Δ/σ)max = 0.001 |
298 parameters | Δρmax = 0.66 e Å−3 |
0 restraints | Δρmin = −0.27 e Å−3 |
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 | ||
Zn1 | 0.14072 (4) | 0.58036 (4) | 0.19251 (2) | 0.04846 (16) | |
Br1 | 0.32283 (4) | 0.25743 (4) | 0.39881 (2) | 0.0733 (2) | |
Br2 | −0.11583 (5) | 0.89454 (5) | 0.01002 (3) | 0.0906 (2) | |
O1 | 0.2186 (2) | 0.5892 (2) | 0.25285 (13) | 0.0534 (8) | |
O2 | 0.1585 (2) | 0.6662 (2) | 0.13293 (14) | 0.0594 (9) | |
N1 | 0.1723 (2) | 0.4382 (3) | 0.17735 (15) | 0.0464 (9) | |
N2 | 0.0138 (2) | 0.6251 (3) | 0.20749 (14) | 0.0435 (8) | |
C1 | 0.2391 (3) | 0.5134 (3) | 0.28266 (19) | 0.0497 (11) | |
C2 | 0.2366 (3) | 0.4135 (3) | 0.26533 (17) | 0.0434 (10) | |
C3 | 0.2636 (3) | 0.3380 (3) | 0.30013 (17) | 0.0472 (11) | |
H3 | 0.2632 | 0.2730 | 0.2885 | 0.057* | |
C4 | 0.2903 (3) | 0.3589 (3) | 0.35084 (18) | 0.0507 (11) | |
C5 | 0.2936 (3) | 0.4553 (4) | 0.3682 (2) | 0.0601 (13) | |
H5 | 0.3117 | 0.4694 | 0.4028 | 0.072* | |
C6 | 0.2703 (3) | 0.5294 (4) | 0.33488 (19) | 0.0579 (13) | |
H6 | 0.2752 | 0.5939 | 0.3470 | 0.069* | |
C7 | 0.2091 (3) | 0.3837 (3) | 0.21292 (18) | 0.0453 (11) | |
H7 | 0.2189 | 0.3182 | 0.2039 | 0.054* | |
C8 | 0.1533 (3) | 0.3960 (3) | 0.12456 (18) | 0.0507 (12) | |
H8 | 0.1622 | 0.3246 | 0.1263 | 0.061* | |
C9 | 0.0569 (3) | 0.4162 (4) | 0.10975 (18) | 0.0540 (12) | |
H9A | 0.0177 | 0.3837 | 0.1349 | 0.065* | |
H9B | 0.0455 | 0.4864 | 0.1116 | 0.065* | |
C10 | 0.0370 (3) | 0.3796 (4) | 0.05408 (19) | 0.0612 (13) | |
H10A | −0.0242 | 0.3953 | 0.0448 | 0.073* | |
H10B | 0.0438 | 0.3086 | 0.0529 | 0.073* | |
C11 | 0.0999 (4) | 0.4267 (4) | 0.0141 (2) | 0.0688 (15) | |
H11A | 0.0866 | 0.4020 | −0.0212 | 0.083* | |
H11B | 0.0908 | 0.4974 | 0.0139 | 0.083* | |
C12 | 0.1958 (4) | 0.4044 (4) | 0.0278 (2) | 0.0701 (15) | |
H12A | 0.2348 | 0.4372 | 0.0026 | 0.084* | |
H12B | 0.2061 | 0.3341 | 0.0250 | 0.084* | |
C13 | 0.2181 (3) | 0.4386 (4) | 0.08412 (18) | 0.0600 (13) | |
H13A | 0.2784 | 0.4183 | 0.0930 | 0.072* | |
H13B | 0.2158 | 0.5099 | 0.0856 | 0.072* | |
C14 | 0.0054 (3) | 0.7201 (3) | 0.12487 (17) | 0.0441 (10) | |
C15 | 0.0949 (3) | 0.7092 (3) | 0.10668 (18) | 0.0479 (11) | |
C16 | 0.1137 (4) | 0.7530 (4) | 0.0567 (2) | 0.0585 (13) | |
H16 | 0.1704 | 0.7449 | 0.0423 | 0.070* | |
C17 | 0.0533 (4) | 0.8060 (4) | 0.02903 (19) | 0.0615 (14) | |
H17 | 0.0692 | 0.8344 | −0.0032 | 0.074* | |
C18 | −0.0320 (4) | 0.8181 (3) | 0.04850 (18) | 0.0560 (13) | |
C19 | −0.0555 (3) | 0.7752 (3) | 0.09532 (17) | 0.0526 (12) | |
H19 | −0.1134 | 0.7828 | 0.1079 | 0.063* | |
C20 | −0.0268 (3) | 0.6803 (3) | 0.17496 (18) | 0.0478 (11) | |
H20 | −0.0848 | 0.6977 | 0.1843 | 0.057* | |
C21 | −0.0334 (3) | 0.5974 (3) | 0.25632 (17) | 0.0442 (10) | |
H21 | −0.0970 | 0.6119 | 0.2516 | 0.053* | |
C22 | 0.0014 (4) | 0.6587 (4) | 0.30242 (18) | 0.0625 (14) | |
H22A | −0.0104 | 0.7277 | 0.2956 | 0.075* | |
H22B | 0.0655 | 0.6501 | 0.3054 | 0.075* | |
C23 | −0.0428 (4) | 0.6288 (4) | 0.3547 (2) | 0.0748 (16) | |
H23A | −0.0166 | 0.6659 | 0.3837 | 0.090* | |
H23B | −0.1060 | 0.6441 | 0.3533 | 0.090* | |
C24 | −0.0306 (4) | 0.5206 (4) | 0.3646 (2) | 0.0742 (16) | |
H24A | 0.0324 | 0.5063 | 0.3689 | 0.089* | |
H24B | −0.0609 | 0.5024 | 0.3972 | 0.089* | |
C25 | −0.0671 (4) | 0.4615 (4) | 0.3194 (2) | 0.0651 (14) | |
H25A | −0.1309 | 0.4725 | 0.3167 | 0.078* | |
H25B | −0.0575 | 0.3921 | 0.3264 | 0.078* | |
C26 | −0.0232 (3) | 0.4888 (3) | 0.26705 (18) | 0.0542 (12) | |
H26A | 0.0397 | 0.4719 | 0.2683 | 0.065* | |
H26B | −0.0505 | 0.4516 | 0.2384 | 0.065* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Zn1 | 0.0447 (3) | 0.0432 (3) | 0.0575 (3) | 0.0029 (2) | 0.0018 (3) | −0.0035 (2) |
Br1 | 0.0855 (4) | 0.0762 (4) | 0.0581 (3) | 0.0036 (3) | −0.0211 (3) | 0.0055 (3) |
Br2 | 0.1105 (5) | 0.0979 (5) | 0.0634 (4) | 0.0186 (4) | −0.0054 (3) | 0.0277 (3) |
O1 | 0.0491 (19) | 0.0431 (17) | 0.068 (2) | 0.0025 (15) | −0.0176 (16) | −0.0044 (16) |
O2 | 0.048 (2) | 0.059 (2) | 0.072 (2) | 0.0036 (16) | 0.0085 (17) | 0.0117 (18) |
N1 | 0.049 (2) | 0.042 (2) | 0.048 (2) | 0.0012 (17) | −0.0058 (18) | −0.0080 (17) |
N2 | 0.044 (2) | 0.042 (2) | 0.044 (2) | −0.0001 (17) | 0.0030 (17) | 0.0009 (17) |
C1 | 0.035 (2) | 0.055 (3) | 0.060 (3) | −0.003 (2) | −0.002 (2) | −0.016 (2) |
C2 | 0.035 (2) | 0.049 (3) | 0.046 (2) | −0.002 (2) | −0.0040 (19) | −0.008 (2) |
C3 | 0.040 (3) | 0.049 (3) | 0.053 (3) | 0.002 (2) | −0.004 (2) | −0.005 (2) |
C4 | 0.050 (3) | 0.058 (3) | 0.044 (3) | −0.001 (2) | −0.007 (2) | −0.002 (2) |
C5 | 0.056 (3) | 0.078 (4) | 0.046 (3) | −0.003 (3) | −0.006 (2) | −0.017 (3) |
C6 | 0.057 (3) | 0.058 (3) | 0.059 (3) | −0.001 (2) | −0.006 (2) | −0.014 (3) |
C7 | 0.045 (3) | 0.040 (2) | 0.051 (3) | −0.002 (2) | −0.003 (2) | −0.006 (2) |
C8 | 0.060 (3) | 0.043 (3) | 0.049 (3) | 0.004 (2) | −0.012 (2) | −0.009 (2) |
C9 | 0.048 (3) | 0.058 (3) | 0.055 (3) | −0.005 (2) | −0.009 (2) | −0.002 (2) |
C10 | 0.056 (3) | 0.071 (3) | 0.057 (3) | −0.004 (3) | −0.019 (3) | 0.000 (3) |
C11 | 0.083 (4) | 0.073 (4) | 0.051 (3) | 0.005 (3) | −0.018 (3) | 0.001 (3) |
C12 | 0.065 (4) | 0.093 (4) | 0.053 (3) | 0.007 (3) | 0.000 (3) | −0.011 (3) |
C13 | 0.047 (3) | 0.076 (4) | 0.056 (3) | 0.006 (3) | −0.004 (2) | −0.017 (3) |
C14 | 0.053 (3) | 0.040 (2) | 0.040 (2) | −0.002 (2) | 0.000 (2) | −0.0007 (19) |
C15 | 0.057 (3) | 0.034 (2) | 0.053 (3) | −0.010 (2) | 0.011 (2) | −0.006 (2) |
C16 | 0.062 (3) | 0.056 (3) | 0.057 (3) | −0.013 (3) | 0.019 (3) | 0.001 (2) |
C17 | 0.085 (4) | 0.059 (3) | 0.040 (3) | −0.015 (3) | 0.014 (3) | 0.002 (2) |
C18 | 0.076 (4) | 0.053 (3) | 0.039 (3) | −0.002 (3) | −0.003 (2) | 0.003 (2) |
C19 | 0.057 (3) | 0.053 (3) | 0.048 (3) | −0.004 (2) | 0.002 (2) | −0.001 (2) |
C20 | 0.044 (3) | 0.047 (3) | 0.052 (3) | −0.002 (2) | 0.006 (2) | 0.001 (2) |
C21 | 0.040 (2) | 0.048 (3) | 0.045 (2) | 0.001 (2) | 0.0077 (19) | 0.004 (2) |
C22 | 0.084 (4) | 0.052 (3) | 0.052 (3) | −0.012 (3) | 0.016 (3) | −0.006 (2) |
C23 | 0.093 (4) | 0.080 (4) | 0.051 (3) | −0.010 (3) | 0.014 (3) | −0.008 (3) |
C24 | 0.076 (4) | 0.094 (4) | 0.053 (3) | −0.006 (3) | 0.001 (3) | 0.021 (3) |
C25 | 0.070 (4) | 0.060 (3) | 0.065 (3) | −0.003 (3) | 0.005 (3) | 0.022 (3) |
C26 | 0.056 (3) | 0.051 (3) | 0.056 (3) | −0.003 (2) | 0.004 (2) | 0.005 (2) |
Zn1—O1 | 1.918 (3) | C11—H11B | 0.97 |
Zn1—O2 | 1.918 (3) | C12—C13 | 1.528 (7) |
Zn1—N1 | 2.026 (4) | C12—H12A | 0.97 |
Zn1—N2 | 2.032 (4) | C12—H12B | 0.97 |
Br1—C4 | 1.896 (5) | C13—H13A | 0.97 |
Br2—C18 | 1.896 (5) | C13—H13B | 0.97 |
O1—C1 | 1.311 (5) | C14—C19 | 1.395 (6) |
O2—C15 | 1.298 (6) | C14—C15 | 1.425 (6) |
N1—C7 | 1.285 (5) | C14—C20 | 1.453 (6) |
N1—C8 | 1.474 (6) | C15—C16 | 1.419 (6) |
N2—C20 | 1.266 (5) | C16—C17 | 1.350 (7) |
N2—C21 | 1.466 (5) | C16—H16 | 0.93 |
C1—C6 | 1.411 (6) | C17—C18 | 1.377 (7) |
C1—C2 | 1.426 (6) | C17—H17 | 0.93 |
C2—C3 | 1.408 (6) | C18—C19 | 1.360 (6) |
C2—C7 | 1.439 (6) | C19—H19 | 0.93 |
C3—C4 | 1.367 (6) | C20—H20 | 0.93 |
C3—H3 | 0.93 | C21—C26 | 1.509 (6) |
C4—C5 | 1.382 (7) | C21—C22 | 1.519 (6) |
C5—C6 | 1.356 (7) | C21—H21 | 0.98 |
C5—H5 | 0.93 | C22—C23 | 1.526 (7) |
C6—H6 | 0.93 | C22—H22A | 0.97 |
C7—H7 | 0.93 | C22—H22B | 0.97 |
C8—C9 | 1.517 (6) | C23—C24 | 1.501 (8) |
C8—C13 | 1.521 (7) | C23—H23A | 0.97 |
C8—H8 | 0.98 | C23—H23B | 0.97 |
C9—C10 | 1.515 (6) | C24—C25 | 1.495 (8) |
C9—H9A | 0.97 | C24—H24A | 0.97 |
C9—H9B | 0.97 | C24—H24B | 0.97 |
C10—C11 | 1.518 (7) | C25—C26 | 1.517 (6) |
C10—H10A | 0.97 | C25—H25A | 0.97 |
C10—H10B | 0.97 | C25—H25B | 0.97 |
C11—C12 | 1.509 (7) | C26—H26A | 0.97 |
C11—H11A | 0.97 | C26—H26B | 0.97 |
O1—Zn1—O2 | 119.70 (14) | H12A—C12—H12B | 108.0 |
O1—Zn1—N1 | 93.83 (14) | C8—C13—C12 | 111.3 (4) |
O2—Zn1—N1 | 113.64 (15) | C8—C13—H13A | 109.4 |
O1—Zn1—N2 | 113.83 (14) | C12—C13—H13A | 109.4 |
O2—Zn1—N2 | 95.33 (14) | C8—C13—H13B | 109.4 |
N1—Zn1—N2 | 122.59 (15) | C12—C13—H13B | 109.4 |
C1—O1—Zn1 | 123.1 (3) | H13A—C13—H13B | 108.0 |
C15—O2—Zn1 | 124.7 (3) | C19—C14—C15 | 120.0 (4) |
C7—N1—C8 | 119.0 (4) | C19—C14—C20 | 116.4 (4) |
C7—N1—Zn1 | 121.2 (3) | C15—C14—C20 | 123.5 (4) |
C8—N1—Zn1 | 119.7 (3) | O2—C15—C16 | 119.6 (4) |
C20—N2—C21 | 117.5 (4) | O2—C15—C14 | 125.0 (4) |
C20—N2—Zn1 | 120.5 (3) | C16—C15—C14 | 115.3 (5) |
C21—N2—Zn1 | 122.0 (3) | C17—C16—C15 | 123.1 (5) |
O1—C1—C6 | 119.2 (4) | C17—C16—H16 | 118.4 |
O1—C1—C2 | 124.6 (4) | C15—C16—H16 | 118.4 |
C6—C1—C2 | 116.1 (4) | C16—C17—C18 | 120.2 (5) |
C3—C2—C1 | 119.8 (4) | C16—C17—H17 | 119.9 |
C3—C2—C7 | 116.5 (4) | C18—C17—H17 | 119.9 |
C1—C2—C7 | 123.7 (4) | C19—C18—C17 | 119.8 (5) |
C4—C3—C2 | 120.8 (4) | C19—C18—Br2 | 120.3 (4) |
C4—C3—H3 | 119.6 | C17—C18—Br2 | 119.9 (4) |
C2—C3—H3 | 119.6 | C18—C19—C14 | 121.5 (5) |
C3—C4—C5 | 120.2 (4) | C18—C19—H19 | 119.3 |
C3—C4—Br1 | 121.2 (4) | C14—C19—H19 | 119.3 |
C5—C4—Br1 | 118.6 (4) | N2—C20—C14 | 128.4 (4) |
C6—C5—C4 | 119.9 (4) | N2—C20—H20 | 115.8 |
C6—C5—H5 | 120.0 | C14—C20—H20 | 115.8 |
C4—C5—H5 | 120.0 | N2—C21—C26 | 110.6 (3) |
C5—C6—C1 | 123.1 (5) | N2—C21—C22 | 109.5 (3) |
C5—C6—H6 | 118.5 | C26—C21—C22 | 111.4 (4) |
C1—C6—H6 | 118.5 | N2—C21—H21 | 108.4 |
N1—C7—C2 | 126.7 (4) | C26—C21—H21 | 108.4 |
N1—C7—H7 | 116.6 | C22—C21—H21 | 108.4 |
C2—C7—H7 | 116.6 | C21—C22—C23 | 111.2 (4) |
N1—C8—C9 | 109.5 (4) | C21—C22—H22A | 109.4 |
N1—C8—C13 | 109.3 (4) | C23—C22—H22A | 109.4 |
C9—C8—C13 | 112.0 (4) | C21—C22—H22B | 109.4 |
N1—C8—H8 | 108.6 | C23—C22—H22B | 109.4 |
C9—C8—H8 | 108.6 | H22A—C22—H22B | 108.0 |
C13—C8—H8 | 108.6 | C24—C23—C22 | 110.5 (5) |
C10—C9—C8 | 110.7 (4) | C24—C23—H23A | 109.5 |
C10—C9—H9A | 109.5 | C22—C23—H23A | 109.5 |
C8—C9—H9A | 109.5 | C24—C23—H23B | 109.5 |
C10—C9—H9B | 109.5 | C22—C23—H23B | 109.5 |
C8—C9—H9B | 109.5 | H23A—C23—H23B | 108.1 |
H9A—C9—H9B | 108.1 | C25—C24—C23 | 110.8 (4) |
C9—C10—C11 | 110.6 (4) | C25—C24—H24A | 109.5 |
C9—C10—H10A | 109.5 | C23—C24—H24A | 109.5 |
C11—C10—H10A | 109.5 | C25—C24—H24B | 109.5 |
C9—C10—H10B | 109.5 | C23—C24—H24B | 109.5 |
C11—C10—H10B | 109.5 | H24A—C24—H24B | 108.1 |
H10A—C10—H10B | 108.1 | C24—C25—C26 | 111.6 (4) |
C12—C11—C10 | 110.8 (4) | C24—C25—H25A | 109.3 |
C12—C11—H11A | 109.5 | C26—C25—H25A | 109.3 |
C10—C11—H11A | 109.5 | C24—C25—H25B | 109.3 |
C12—C11—H11B | 109.5 | C26—C25—H25B | 109.3 |
C10—C11—H11B | 109.5 | H25A—C25—H25B | 108.0 |
H11A—C11—H11B | 108.1 | C21—C26—C25 | 110.5 (4) |
C11—C12—C13 | 111.0 (4) | C21—C26—H26A | 109.5 |
C11—C12—H12A | 109.4 | C25—C26—H26A | 109.5 |
C13—C12—H12A | 109.4 | C21—C26—H26B | 109.5 |
C11—C12—H12B | 109.4 | C25—C26—H26B | 109.5 |
C13—C12—H12B | 109.4 | H26A—C26—H26B | 108.1 |
O2—Zn1—O1—C1 | −148.8 (3) | Zn1—N1—C8—C13 | 72.1 (4) |
N1—Zn1—O1—C1 | −28.7 (4) | N1—C8—C9—C10 | 176.3 (4) |
N2—Zn1—O1—C1 | 99.6 (3) | C13—C8—C9—C10 | 54.8 (5) |
O1—Zn1—O2—C15 | −138.9 (3) | C8—C9—C10—C11 | −57.1 (6) |
N1—Zn1—O2—C15 | 111.6 (4) | C9—C10—C11—C12 | 58.6 (6) |
N2—Zn1—O2—C15 | −17.6 (4) | C10—C11—C12—C13 | −56.9 (6) |
O1—Zn1—N1—C7 | 18.3 (4) | N1—C8—C13—C12 | −174.8 (4) |
O2—Zn1—N1—C7 | 143.2 (3) | C9—C8—C13—C12 | −53.2 (6) |
N2—Zn1—N1—C7 | −103.2 (4) | C11—C12—C13—C8 | 54.1 (6) |
O1—Zn1—N1—C8 | −161.4 (3) | Zn1—O2—C15—C16 | −166.0 (3) |
O2—Zn1—N1—C8 | −36.6 (4) | Zn1—O2—C15—C14 | 16.4 (6) |
N2—Zn1—N1—C8 | 77.0 (4) | C19—C14—C15—O2 | 174.4 (4) |
O1—Zn1—N2—C20 | 135.4 (3) | C20—C14—C15—O2 | −2.5 (7) |
O2—Zn1—N2—C20 | 9.6 (4) | C19—C14—C15—C16 | −3.2 (6) |
N1—Zn1—N2—C20 | −112.9 (3) | C20—C14—C15—C16 | 179.9 (4) |
O1—Zn1—N2—C21 | −43.0 (3) | O2—C15—C16—C17 | −174.4 (5) |
O2—Zn1—N2—C21 | −168.8 (3) | C14—C15—C16—C17 | 3.4 (7) |
N1—Zn1—N2—C21 | 68.7 (3) | C15—C16—C17—C18 | −1.4 (8) |
Zn1—O1—C1—C6 | −158.7 (3) | C16—C17—C18—C19 | −1.0 (7) |
Zn1—O1—C1—C2 | 24.7 (6) | C16—C17—C18—Br2 | 178.9 (4) |
O1—C1—C2—C3 | 177.4 (4) | C17—C18—C19—C14 | 1.1 (7) |
C6—C1—C2—C3 | 0.7 (6) | Br2—C18—C19—C14 | −178.8 (3) |
O1—C1—C2—C7 | −1.5 (7) | C15—C14—C19—C18 | 1.2 (7) |
C6—C1—C2—C7 | −178.2 (4) | C20—C14—C19—C18 | 178.3 (4) |
C1—C2—C3—C4 | 1.4 (7) | C21—N2—C20—C14 | 178.2 (4) |
C7—C2—C3—C4 | −179.6 (4) | Zn1—N2—C20—C14 | −0.2 (6) |
C2—C3—C4—C5 | −1.8 (7) | C19—C14—C20—N2 | 176.7 (5) |
C2—C3—C4—Br1 | 177.8 (3) | C15—C14—C20—N2 | −6.3 (7) |
C3—C4—C5—C6 | −0.1 (7) | C20—N2—C21—C26 | 134.5 (4) |
Br1—C4—C5—C6 | −179.7 (4) | Zn1—N2—C21—C26 | −47.1 (5) |
C4—C5—C6—C1 | 2.4 (8) | C20—N2—C21—C22 | −102.4 (5) |
O1—C1—C6—C5 | −179.5 (5) | Zn1—N2—C21—C22 | 76.0 (4) |
C2—C1—C6—C5 | −2.6 (7) | N2—C21—C22—C23 | −177.2 (4) |
C8—N1—C7—C2 | 176.5 (4) | C26—C21—C22—C23 | −54.6 (6) |
Zn1—N1—C7—C2 | −3.3 (6) | C21—C22—C23—C24 | 55.5 (6) |
C3—C2—C7—N1 | 171.1 (4) | C22—C23—C24—C25 | −57.0 (6) |
C1—C2—C7—N1 | −9.9 (7) | C23—C24—C25—C26 | 57.9 (6) |
C7—N1—C8—C9 | 129.3 (4) | N2—C21—C26—C25 | 176.4 (4) |
Zn1—N1—C8—C9 | −51.0 (5) | C22—C21—C26—C25 | 54.4 (5) |
C7—N1—C8—C13 | −107.7 (5) | C24—C25—C26—C21 | −56.3 (6) |