| Literature DB >> 21588186 |
Roya Ahmadi1, Khadijeh Kalateh, Vahid Amani.
Abstract
In the title compound, [ZnBr(2)(C(24)H(16)N(6))], the Zn(II) ion is coordinated by the N,N',N''-tridentate 2,3,5,6-tetra-2-pyridyl-pyrazine ligand and two bromide ions, generating a distorted ZnN(3)Br(2) trigonal-bipyramidal geometry for the metal ion, with both bromide ions in equatorial sites. The dihedral angles between the pyrazine ring and the coordinated pyridine rings are 13.3 (2) and 24.8 (2)°; those between the pyrazine ring and the uncoordinated pyradine rings are 31.3 (2) and 44.2 (2)°. In the crystal, inversion dimers linked by pairs of weak C-H⋯Br hydrogen bonds occur.Entities:
Year: 2010 PMID: 21588186 PMCID: PMC3007354 DOI: 10.1107/S1600536810027820
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| [ZnBr2(C24H16N6)] | |
| Triclinic, | |
| Hall symbol: -P 1 | Mo |
| Cell parameters from 998 reflections | |
| θ = 1.8–29.3° | |
| µ = 4.40 mm−1 | |
| α = 64.898 (6)° | |
| β = 83.187 (6)° | Prism, yellow |
| γ = 77.901 (6)° | 0.50 × 0.40 × 0.28 mm |
| Bruker SMART CCD diffractometer | 6412 independent reflections |
| Radiation source: fine-focus sealed tube | 4954 reflections with |
| graphite | |
| phi and ω scans | θmax = 29.2°, θmin = 1.8° |
| Absorption correction: multi-scan ( | |
| 13823 measured reflections |
| Refinement on | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| Hydrogen site location: inferred from neighbouring sites | |
| H-atom parameters constrained | |
| 6412 reflections | (Δ/σ)max = 0.010 |
| 298 parameters | Δρmax = 0.89 e Å−3 |
| 0 restraints | Δρmin = −0.91 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 |
| Zn1 | 0.69495 (4) | 0.37649 (4) | 0.71272 (4) | 0.03753 (11) | |
| Br2 | 0.62972 (5) | 0.62861 (4) | 0.64284 (4) | 0.05470 (13) | |
| Br1 | 0.52355 (5) | 0.24651 (6) | 0.74414 (5) | 0.07140 (16) | |
| N5 | 1.1123 (3) | 0.0445 (4) | 0.5766 (3) | 0.0452 (7) | |
| N3 | 1.1520 (3) | 0.1584 (3) | 0.7992 (3) | 0.0397 (6) | |
| C7 | 1.0799 (3) | 0.2101 (4) | 0.8729 (3) | 0.0379 (7) | |
| C20 | 0.9186 (3) | 0.3265 (3) | 0.5446 (3) | 0.0352 (7) | |
| C16 | 1.3156 (3) | 0.0461 (4) | 0.6499 (3) | 0.0397 (7) | |
| H16 | 1.3598 | 0.0784 | 0.6918 | 0.048* | |
| C6 | 0.9439 (3) | 0.2551 (4) | 0.8580 (3) | 0.0350 (7) | |
| C17 | 1.1801 (3) | 0.0874 (4) | 0.6368 (3) | 0.0363 (7) | |
| N6 | 0.7888 (3) | 0.3729 (3) | 0.5459 (3) | 0.0407 (7) | |
| N2 | 0.8986 (3) | 0.2850 (3) | 0.7503 (2) | 0.0339 (6) | |
| C8 | 1.1517 (4) | 0.2208 (4) | 0.9655 (3) | 0.0423 (8) | |
| C19 | 0.9768 (3) | 0.2574 (4) | 0.6653 (3) | 0.0341 (6) | |
| C5 | 0.8400 (4) | 0.2731 (4) | 0.9463 (3) | 0.0377 (7) | |
| C18 | 1.1009 (3) | 0.1719 (4) | 0.6992 (3) | 0.0353 (7) | |
| N4 | 1.1146 (3) | 0.3429 (4) | 0.9781 (3) | 0.0457 (7) | |
| N1 | 0.7200 (3) | 0.3285 (4) | 0.9022 (3) | 0.0475 (7) | |
| C13 | 1.1800 (4) | −0.0388 (5) | 0.5255 (4) | 0.0499 (9) | |
| H13 | 1.1346 | −0.0669 | 0.4811 | 0.060* | |
| C15 | 1.3823 (4) | −0.0435 (4) | 0.5994 (3) | 0.0453 (8) | |
| H15 | 1.4724 | −0.0751 | 0.6087 | 0.054* | |
| C21 | 0.9930 (4) | 0.3513 (4) | 0.4381 (3) | 0.0448 (8) | |
| H21 | 1.0837 | 0.3210 | 0.4388 | 0.054* | |
| C3 | 0.7577 (5) | 0.2571 (5) | 1.1400 (4) | 0.0567 (11) | |
| H3 | 0.7711 | 0.2326 | 1.2204 | 0.068* | |
| C23 | 0.7940 (5) | 0.4678 (5) | 0.3319 (4) | 0.0584 (11) | |
| H23 | 0.7493 | 0.5150 | 0.2605 | 0.070* | |
| C12 | 1.1751 (5) | 0.3588 (5) | 1.0604 (4) | 0.0592 (11) | |
| H12 | 1.1516 | 0.4439 | 1.0696 | 0.071* | |
| C1 | 0.6194 (5) | 0.3486 (6) | 0.9748 (4) | 0.0646 (13) | |
| H1 | 0.5356 | 0.3851 | 0.9440 | 0.078* | |
| C22 | 0.9278 (5) | 0.4225 (5) | 0.3307 (3) | 0.0525 (10) | |
| H22 | 0.9746 | 0.4396 | 0.2581 | 0.063* | |
| C9 | 1.2494 (5) | 0.1128 (6) | 1.0304 (5) | 0.0731 (16) | |
| H9 | 1.2749 | 0.0302 | 1.0174 | 0.088* | |
| C24 | 0.7276 (4) | 0.4421 (5) | 0.4402 (4) | 0.0548 (10) | |
| H24 | 0.6371 | 0.4735 | 0.4410 | 0.066* | |
| C2 | 0.6354 (5) | 0.3171 (6) | 1.0948 (4) | 0.0660 (13) | |
| H2 | 0.5648 | 0.3364 | 1.1427 | 0.079* | |
| C11 | 1.2693 (7) | 0.2565 (7) | 1.1313 (6) | 0.0866 (19) | |
| H11 | 1.3067 | 0.2706 | 1.1893 | 0.104* | |
| C10 | 1.3082 (7) | 0.1332 (8) | 1.1165 (7) | 0.103 (3) | |
| H10 | 1.3737 | 0.0629 | 1.1635 | 0.123* | |
| C14 | 1.3150 (4) | −0.0862 (4) | 0.5348 (4) | 0.0486 (9) | |
| H14 | 1.3587 | −0.1453 | 0.4983 | 0.058* | |
| C4 | 0.8616 (4) | 0.2330 (5) | 1.0660 (3) | 0.0488 (9) | |
| H4 | 0.9450 | 0.1903 | 1.0964 | 0.059* |
| Zn1 | 0.03347 (19) | 0.0393 (2) | 0.0397 (2) | 0.00120 (15) | −0.00453 (14) | −0.01878 (17) |
| Br2 | 0.0683 (3) | 0.0393 (2) | 0.0545 (2) | 0.00334 (18) | −0.00494 (19) | −0.02253 (18) |
| Br1 | 0.0635 (3) | 0.0628 (3) | 0.0887 (4) | −0.0252 (2) | −0.0112 (2) | −0.0232 (3) |
| N5 | 0.0386 (15) | 0.0507 (18) | 0.0572 (19) | 0.0007 (13) | −0.0060 (13) | −0.0352 (16) |
| N3 | 0.0376 (14) | 0.0409 (16) | 0.0463 (16) | 0.0017 (12) | −0.0089 (12) | −0.0254 (13) |
| C7 | 0.0416 (17) | 0.0347 (16) | 0.0412 (17) | 0.0010 (13) | −0.0091 (14) | −0.0208 (14) |
| C20 | 0.0408 (17) | 0.0304 (15) | 0.0355 (16) | −0.0001 (13) | −0.0045 (13) | −0.0167 (13) |
| C16 | 0.0341 (16) | 0.0428 (19) | 0.0438 (18) | −0.0068 (14) | 0.0001 (13) | −0.0196 (15) |
| C6 | 0.0415 (17) | 0.0304 (15) | 0.0329 (15) | −0.0010 (13) | −0.0051 (12) | −0.0143 (13) |
| C17 | 0.0326 (15) | 0.0370 (17) | 0.0432 (17) | −0.0034 (13) | −0.0016 (13) | −0.0213 (14) |
| N6 | 0.0410 (15) | 0.0462 (17) | 0.0352 (14) | 0.0037 (13) | −0.0065 (11) | −0.0209 (13) |
| N2 | 0.0347 (13) | 0.0361 (14) | 0.0325 (13) | −0.0015 (11) | −0.0033 (10) | −0.0171 (11) |
| C8 | 0.0427 (18) | 0.046 (2) | 0.0423 (18) | −0.0025 (15) | −0.0101 (14) | −0.0226 (16) |
| C19 | 0.0357 (15) | 0.0329 (16) | 0.0375 (16) | −0.0008 (12) | −0.0026 (12) | −0.0201 (13) |
| C5 | 0.0475 (18) | 0.0317 (16) | 0.0321 (15) | −0.0049 (14) | −0.0008 (13) | −0.0124 (13) |
| C18 | 0.0331 (15) | 0.0352 (16) | 0.0409 (17) | −0.0011 (13) | −0.0040 (12) | −0.0202 (14) |
| N4 | 0.0570 (19) | 0.0462 (18) | 0.0403 (16) | −0.0087 (15) | −0.0024 (13) | −0.0240 (14) |
| N1 | 0.0447 (17) | 0.057 (2) | 0.0392 (16) | −0.0019 (14) | 0.0025 (13) | −0.0222 (15) |
| C13 | 0.054 (2) | 0.054 (2) | 0.056 (2) | −0.0044 (18) | −0.0046 (17) | −0.037 (2) |
| C15 | 0.0332 (16) | 0.048 (2) | 0.048 (2) | −0.0018 (15) | 0.0086 (14) | −0.0184 (17) |
| C21 | 0.048 (2) | 0.044 (2) | 0.0414 (18) | −0.0037 (16) | 0.0009 (15) | −0.0192 (16) |
| C3 | 0.073 (3) | 0.061 (3) | 0.0342 (18) | −0.024 (2) | 0.0111 (18) | −0.0161 (18) |
| C23 | 0.078 (3) | 0.055 (3) | 0.0374 (19) | 0.002 (2) | −0.0141 (19) | −0.0172 (18) |
| C12 | 0.077 (3) | 0.063 (3) | 0.054 (2) | −0.021 (2) | −0.003 (2) | −0.035 (2) |
| C1 | 0.048 (2) | 0.087 (4) | 0.051 (2) | 0.005 (2) | 0.0068 (18) | −0.030 (2) |
| C22 | 0.071 (3) | 0.051 (2) | 0.0328 (18) | −0.007 (2) | 0.0037 (17) | −0.0168 (16) |
| C9 | 0.077 (3) | 0.065 (3) | 0.089 (4) | 0.025 (3) | −0.046 (3) | −0.049 (3) |
| C24 | 0.052 (2) | 0.063 (3) | 0.045 (2) | 0.0123 (19) | −0.0168 (17) | −0.0246 (19) |
| C2 | 0.066 (3) | 0.082 (3) | 0.046 (2) | −0.012 (3) | 0.020 (2) | −0.028 (2) |
| C11 | 0.105 (4) | 0.097 (4) | 0.082 (4) | −0.007 (4) | −0.044 (3) | −0.054 (3) |
| C10 | 0.110 (5) | 0.094 (5) | 0.113 (5) | 0.028 (4) | −0.079 (4) | −0.053 (4) |
| C14 | 0.053 (2) | 0.047 (2) | 0.048 (2) | −0.0031 (17) | 0.0114 (16) | −0.0272 (17) |
| C4 | 0.058 (2) | 0.056 (2) | 0.0307 (17) | −0.0159 (19) | −0.0017 (15) | −0.0132 (16) |
| Zn1—N2 | 2.151 (3) | N1—C1 | 1.335 (5) |
| Zn1—N6 | 2.177 (3) | C13—C14 | 1.388 (6) |
| Zn1—N1 | 2.202 (3) | C13—H13 | 0.9300 |
| Zn1—Br1 | 2.3692 (7) | C15—C14 | 1.376 (6) |
| Zn1—Br2 | 2.3880 (6) | C15—H15 | 0.9300 |
| N5—C13 | 1.330 (5) | C21—C22 | 1.388 (6) |
| N5—C17 | 1.339 (4) | C21—H21 | 0.9300 |
| N3—C7 | 1.330 (4) | C3—C2 | 1.363 (7) |
| N3—C18 | 1.339 (4) | C3—C4 | 1.381 (6) |
| C7—C6 | 1.403 (5) | C3—H3 | 0.9300 |
| C7—C8 | 1.487 (5) | C23—C24 | 1.372 (6) |
| C20—N6 | 1.336 (4) | C23—C22 | 1.372 (7) |
| C20—C21 | 1.392 (5) | C23—H23 | 0.9300 |
| C20—C19 | 1.488 (4) | C12—C11 | 1.357 (8) |
| C16—C15 | 1.371 (5) | C12—H12 | 0.9300 |
| C16—C17 | 1.392 (5) | C1—C2 | 1.392 (6) |
| C16—H16 | 0.9300 | C1—H1 | 0.9300 |
| C6—N2 | 1.344 (4) | C22—H22 | 0.9300 |
| C6—C5 | 1.481 (5) | C9—C10 | 1.394 (7) |
| C17—C18 | 1.477 (4) | C9—H9 | 0.9300 |
| N6—C24 | 1.351 (5) | C24—H24 | 0.9300 |
| N2—C19 | 1.341 (4) | C2—H2 | 0.9300 |
| C8—N4 | 1.333 (5) | C11—C10 | 1.359 (9) |
| C8—C9 | 1.379 (6) | C11—H11 | 0.9300 |
| C19—C18 | 1.404 (4) | C10—H10 | 0.9300 |
| C5—N1 | 1.334 (5) | C14—H14 | 0.9300 |
| C5—C4 | 1.382 (5) | C4—H4 | 0.9300 |
| N4—C12 | 1.338 (5) | ||
| N2—Zn1—N6 | 73.75 (10) | C5—N1—Zn1 | 118.2 (2) |
| N2—Zn1—N1 | 72.96 (11) | C1—N1—Zn1 | 122.6 (3) |
| N6—Zn1—N1 | 146.71 (11) | N5—C13—C14 | 123.5 (4) |
| N2—Zn1—Br1 | 125.38 (8) | N5—C13—H13 | 118.3 |
| N6—Zn1—Br1 | 102.12 (9) | C14—C13—H13 | 118.3 |
| N1—Zn1—Br1 | 97.43 (10) | C16—C15—C14 | 119.5 (3) |
| N2—Zn1—Br2 | 118.61 (8) | C16—C15—H15 | 120.2 |
| N6—Zn1—Br2 | 97.55 (9) | C14—C15—H15 | 120.2 |
| N1—Zn1—Br2 | 97.76 (10) | C22—C21—C20 | 118.0 (4) |
| Br1—Zn1—Br2 | 115.93 (2) | C22—C21—H21 | 121.0 |
| C13—N5—C17 | 117.3 (3) | C20—C21—H21 | 121.0 |
| C7—N3—C18 | 120.4 (3) | C2—C3—C4 | 119.8 (4) |
| N3—C7—C6 | 119.5 (3) | C2—C3—H3 | 120.1 |
| N3—C7—C8 | 116.7 (3) | C4—C3—H3 | 120.1 |
| C6—C7—C8 | 123.8 (3) | C24—C23—C22 | 118.8 (4) |
| N6—C20—C21 | 122.2 (3) | C24—C23—H23 | 120.6 |
| N6—C20—C19 | 114.2 (3) | C22—C23—H23 | 120.6 |
| C21—C20—C19 | 123.5 (3) | N4—C12—C11 | 123.1 (4) |
| C15—C16—C17 | 118.4 (3) | N4—C12—H12 | 118.4 |
| C15—C16—H16 | 120.8 | C11—C12—H12 | 118.4 |
| C17—C16—H16 | 120.8 | N1—C1—C2 | 122.4 (4) |
| N2—C6—C7 | 117.2 (3) | N1—C1—H1 | 118.8 |
| N2—C6—C5 | 114.1 (3) | C2—C1—H1 | 118.8 |
| C7—C6—C5 | 128.7 (3) | C23—C22—C21 | 119.9 (4) |
| N5—C17—C16 | 123.0 (3) | C23—C22—H22 | 120.0 |
| N5—C17—C18 | 115.8 (3) | C21—C22—H22 | 120.0 |
| C16—C17—C18 | 120.9 (3) | C8—C9—C10 | 116.9 (5) |
| C20—N6—C24 | 118.6 (3) | C8—C9—H9 | 121.6 |
| C20—N6—Zn1 | 117.8 (2) | C10—C9—H9 | 121.6 |
| C24—N6—Zn1 | 122.1 (3) | N6—C24—C23 | 122.4 (4) |
| C19—N2—C6 | 121.7 (3) | N6—C24—H24 | 118.8 |
| C19—N2—Zn1 | 118.5 (2) | C23—C24—H24 | 118.8 |
| C6—N2—Zn1 | 119.7 (2) | C3—C2—C1 | 118.0 (4) |
| N4—C8—C9 | 123.8 (4) | C3—C2—H2 | 121.0 |
| N4—C8—C7 | 114.3 (3) | C1—C2—H2 | 121.0 |
| C9—C8—C7 | 121.9 (4) | C12—C11—C10 | 119.3 (4) |
| N2—C19—C18 | 117.6 (3) | C12—C11—H11 | 120.3 |
| N2—C19—C20 | 113.7 (3) | C10—C11—H11 | 120.3 |
| C18—C19—C20 | 128.6 (3) | C11—C10—C9 | 119.6 (5) |
| N1—C5—C4 | 121.3 (3) | C11—C10—H10 | 120.2 |
| N1—C5—C6 | 114.6 (3) | C9—C10—H10 | 120.2 |
| C4—C5—C6 | 124.1 (3) | C15—C14—C13 | 118.2 (3) |
| N3—C18—C19 | 118.8 (3) | C15—C14—H14 | 120.9 |
| N3—C18—C17 | 115.5 (3) | C13—C14—H14 | 120.9 |
| C19—C18—C17 | 125.6 (3) | C3—C4—C5 | 119.1 (4) |
| C8—N4—C12 | 117.2 (4) | C3—C4—H4 | 120.4 |
| C5—N1—C1 | 119.2 (3) | C5—C4—H4 | 120.4 |
| C18—N3—C7—C6 | 11.8 (5) | C7—C6—C5—C4 | −6.9 (6) |
| C18—N3—C7—C8 | −166.3 (3) | C7—N3—C18—C19 | 8.3 (5) |
| N3—C7—C6—N2 | −20.0 (5) | C7—N3—C18—C17 | −168.8 (3) |
| C8—C7—C6—N2 | 157.9 (3) | N2—C19—C18—N3 | −20.2 (5) |
| N3—C7—C6—C5 | 159.1 (4) | C20—C19—C18—N3 | 158.3 (3) |
| C8—C7—C6—C5 | −22.9 (6) | N2—C19—C18—C17 | 156.6 (3) |
| C13—N5—C17—C16 | −1.5 (6) | C20—C19—C18—C17 | −24.9 (6) |
| C13—N5—C17—C18 | −176.1 (4) | N5—C17—C18—N3 | 149.6 (3) |
| C15—C16—C17—N5 | −0.5 (6) | C16—C17—C18—N3 | −25.1 (5) |
| C15—C16—C17—C18 | 173.9 (3) | N5—C17—C18—C19 | −27.2 (5) |
| C21—C20—N6—C24 | 2.2 (6) | C16—C17—C18—C19 | 158.1 (4) |
| C19—C20—N6—C24 | 177.5 (3) | C9—C8—N4—C12 | −1.2 (7) |
| C21—C20—N6—Zn1 | −164.1 (3) | C7—C8—N4—C12 | 179.7 (4) |
| C19—C20—N6—Zn1 | 11.1 (4) | C4—C5—N1—C1 | 1.6 (6) |
| N2—Zn1—N6—C20 | −3.2 (3) | C6—C5—N1—C1 | 179.8 (4) |
| N1—Zn1—N6—C20 | −2.2 (4) | C4—C5—N1—Zn1 | −176.4 (3) |
| Br1—Zn1—N6—C20 | −126.8 (3) | C6—C5—N1—Zn1 | 1.9 (4) |
| Br2—Zn1—N6—C20 | 114.5 (3) | N2—Zn1—N1—C5 | 1.4 (3) |
| N2—Zn1—N6—C24 | −169.0 (4) | N6—Zn1—N1—C5 | 0.4 (4) |
| N1—Zn1—N6—C24 | −168.1 (3) | Br1—Zn1—N1—C5 | 126.2 (3) |
| Br1—Zn1—N6—C24 | 67.3 (3) | Br2—Zn1—N1—C5 | −116.2 (3) |
| Br2—Zn1—N6—C24 | −51.3 (3) | N2—Zn1—N1—C1 | −176.5 (4) |
| C7—C6—N2—C19 | 7.8 (5) | N6—Zn1—N1—C1 | −177.5 (4) |
| C5—C6—N2—C19 | −171.5 (3) | Br1—Zn1—N1—C1 | −51.7 (4) |
| C7—C6—N2—Zn1 | −173.3 (2) | Br2—Zn1—N1—C1 | 65.9 (4) |
| C5—C6—N2—Zn1 | 7.5 (4) | C17—N5—C13—C14 | 2.1 (7) |
| N6—Zn1—N2—C19 | −6.5 (3) | C17—C16—C15—C14 | 1.9 (6) |
| N1—Zn1—N2—C19 | 174.1 (3) | N6—C20—C21—C22 | −2.2 (6) |
| Br1—Zn1—N2—C19 | 87.0 (3) | C19—C20—C21—C22 | −177.1 (4) |
| Br2—Zn1—N2—C19 | −96.3 (2) | C8—N4—C12—C11 | −1.1 (7) |
| N6—Zn1—N2—C6 | 174.5 (3) | C5—N1—C1—C2 | 1.6 (8) |
| N1—Zn1—N2—C6 | −4.9 (3) | Zn1—N1—C1—C2 | 179.5 (4) |
| Br1—Zn1—N2—C6 | −92.0 (3) | C24—C23—C22—C21 | 0.5 (7) |
| Br2—Zn1—N2—C6 | 84.7 (3) | C20—C21—C22—C23 | 0.8 (6) |
| N3—C7—C8—N4 | 135.7 (4) | N4—C8—C9—C10 | 2.2 (9) |
| C6—C7—C8—N4 | −42.3 (5) | C7—C8—C9—C10 | −178.8 (6) |
| N3—C7—C8—C9 | −43.4 (6) | C20—N6—C24—C23 | −0.8 (7) |
| C6—C7—C8—C9 | 138.6 (5) | Zn1—N6—C24—C23 | 164.9 (4) |
| C6—N2—C19—C18 | 11.8 (5) | C22—C23—C24—N6 | −0.5 (7) |
| Zn1—N2—C19—C18 | −167.2 (2) | C4—C3—C2—C1 | 1.6 (8) |
| C6—N2—C19—C20 | −167.0 (3) | N1—C1—C2—C3 | −3.2 (8) |
| Zn1—N2—C19—C20 | 14.1 (4) | N4—C12—C11—C10 | 2.2 (10) |
| N6—C20—C19—N2 | −16.2 (4) | C12—C11—C10—C9 | −1.1 (12) |
| C21—C20—C19—N2 | 159.0 (3) | C8—C9—C10—C11 | −1.0 (12) |
| N6—C20—C19—C18 | 165.2 (4) | C16—C15—C14—C13 | −1.4 (6) |
| C21—C20—C19—C18 | −19.6 (6) | N5—C13—C14—C15 | −0.7 (7) |
| N2—C6—C5—N1 | −5.9 (5) | C2—C3—C4—C5 | 1.3 (7) |
| C7—C6—C5—N1 | 174.9 (4) | N1—C5—C4—C3 | −3.1 (6) |
| N2—C6—C5—C4 | 172.3 (4) | C6—C5—C4—C3 | 178.9 (4) |
| H··· | ||||
| C11—H11···Br2i | 0.93 | 2.88 | 3.791 (7) | 166 |
| Zn1—N2 | 2.151 (3) |
| Zn1—N6 | 2.177 (3) |
| Zn1—N1 | 2.202 (3) |
| Zn1—Br1 | 2.3692 (7) |
| Zn1—Br2 | 2.3880 (6) |
| N2—Zn1—N6 | 73.75 (10) |
| N2—Zn1—N1 | 72.96 (11) |
| N6—Zn1—N1 | 146.71 (11) |
| N2—Zn1—Br1 | 125.38 (8) |
| N6—Zn1—Br1 | 102.12 (9) |
| N1—Zn1—Br1 | 97.43 (10) |
| N2—Zn1—Br2 | 118.61 (8) |
| N6—Zn1—Br2 | 97.55 (9) |
| N1—Zn1—Br2 | 97.76 (10) |
| Br1—Zn1—Br2 | 115.93 (2) |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| C11—H11⋯Br2i | 0.93 | 2.88 | 3.791 (7) | 166 |
Symmetry code: (i) .