| Literature DB >> 21522713 |
Marian Olaru1, Sorin Roşca, Ciprian I Raţ.
Abstract
The title compound, C(28)H(33)I·CHCl(3), forms dimers through C-I⋯π inter-actions. The crystal structure is consolidated by the presence of C-H⋯π inter-actions between the chloro-form solvent and the main mol-ecule.Entities:
Year: 2010 PMID: 21522713 PMCID: PMC3050376 DOI: 10.1107/S1600536810052736
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| C28H33I·CHCl3 | |
| Monoclinic, | Melting point = 498–497 K |
| Hall symbol: -P 2yn | Mo |
| Cell parameters from 3032 reflections | |
| θ = 2.3–19.9° | |
| µ = 1.40 mm−1 | |
| β = 103.385 (1)° | |
| Block, colourless | |
| 0.32 × 0.28 × 0.26 mm |
| Bruker SMART CCD area-detector diffractometer | 5896 independent reflections |
| Radiation source: fine-focus sealed tube | 4698 reflections with |
| graphite | |
| φ and ω scans | θmax = 26.4°, θmin = 1.9° |
| Absorption correction: multi-scan ( | |
| 22910 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 | |
| 5896 reflections | (Δ/σ)max = 0.031 |
| 308 parameters | Δρmax = 0.83 e Å−3 |
| 0 restraints | Δρmin = −0.68 e Å−3 |
| Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes. |
| Refinement. Refinement of |
| C1 | 0.7505 (4) | 0.1344 (3) | 0.4780 (3) | 0.0364 (11) | |
| C2 | 0.6846 (4) | 0.1920 (3) | 0.4197 (3) | 0.0383 (11) | |
| C3 | 0.6011 (5) | 0.2346 (3) | 0.4498 (3) | 0.0499 (13) | |
| H3 | 0.5556 | 0.273 | 0.4122 | 0.06* | |
| C4 | 0.5835 (5) | 0.2216 (4) | 0.5341 (4) | 0.0570 (15) | |
| H4 | 0.5278 | 0.2518 | 0.5535 | 0.068* | |
| C5 | 0.6487 (5) | 0.1637 (3) | 0.5897 (3) | 0.0490 (13) | |
| H5 | 0.6354 | 0.1544 | 0.6461 | 0.059* | |
| C6 | 0.7338 (4) | 0.1191 (3) | 0.5631 (3) | 0.0377 (11) | |
| C7 | 0.6986 (4) | 0.2074 (3) | 0.3265 (3) | 0.0377 (11) | |
| C8 | 0.6370 (4) | 0.1577 (3) | 0.2572 (3) | 0.0422 (12) | |
| C9 | 0.6476 (4) | 0.1740 (3) | 0.1698 (3) | 0.0476 (13) | |
| C10 | 0.7155 (5) | 0.2388 (3) | 0.1525 (3) | 0.0493 (13) | |
| C11 | 0.7780 (4) | 0.2865 (3) | 0.2222 (3) | 0.0473 (12) | |
| C12 | 0.7713 (4) | 0.2701 (3) | 0.3103 (3) | 0.0422 (12) | |
| C13 | 0.5589 (6) | 0.0903 (4) | 0.2764 (4) | 0.0680 (17) | |
| H13A | 0.4823 | 0.1009 | 0.2431 | 0.102* | |
| H13B | 0.5607 | 0.0898 | 0.3391 | 0.102* | |
| H13C | 0.5839 | 0.0374 | 0.2592 | 0.102* | |
| C14 | 0.5810 (7) | 0.1203 (5) | 0.0945 (4) | 0.084 (2) | |
| H14A | 0.6145 | 0.1244 | 0.0438 | 0.125* | |
| H14B | 0.5031 | 0.139 | 0.0782 | 0.125* | |
| H14C | 0.5831 | 0.0634 | 0.1139 | 0.125* | |
| C15 | 0.7196 (6) | 0.2594 (5) | 0.0568 (4) | 0.084 (2) | |
| H15A | 0.6584 | 0.2314 | 0.0163 | 0.127* | |
| H15B | 0.7914 | 0.2415 | 0.046 | 0.127* | |
| H15C | 0.7117 | 0.3184 | 0.0476 | 0.127* | |
| C16 | 0.8538 (6) | 0.3562 (4) | 0.2035 (5) | 0.079 (2) | |
| H16A | 0.813 | 0.3886 | 0.1538 | 0.118* | |
| H16B | 0.9211 | 0.3331 | 0.1895 | 0.118* | |
| H16C | 0.8753 | 0.3911 | 0.2553 | 0.118* | |
| C17 | 0.8413 (5) | 0.3199 (4) | 0.3880 (4) | 0.0681 (17) | |
| H17A | 0.8268 | 0.2997 | 0.443 | 0.102* | |
| H17B | 0.8204 | 0.3776 | 0.3807 | 0.102* | |
| H17C | 0.9211 | 0.3139 | 0.3893 | 0.102* | |
| C18 | 0.8017 (4) | 0.0550 (3) | 0.6229 (3) | 0.0368 (11) | |
| C19 | 0.7593 (4) | −0.0266 (3) | 0.6220 (3) | 0.0396 (11) | |
| C20 | 0.8242 (5) | −0.0875 (3) | 0.6762 (3) | 0.0468 (13) | |
| C21 | 0.9318 (5) | −0.0657 (3) | 0.7299 (3) | 0.0489 (13) | |
| C22 | 0.9726 (4) | 0.0152 (3) | 0.7312 (3) | 0.0459 (12) | |
| C23 | 0.9068 (4) | 0.0763 (3) | 0.6789 (3) | 0.0447 (12) | |
| C24 | 0.6463 (5) | −0.0464 (4) | 0.5600 (4) | 0.0608 (16) | |
| H24A | 0.6358 | −0.1056 | 0.5565 | 0.091* | |
| H24B | 0.645 | −0.0248 | 0.5015 | 0.091* | |
| H24C | 0.5859 | −0.0214 | 0.5822 | 0.091* | |
| C25 | 0.7790 (6) | −0.1748 (3) | 0.6782 (4) | 0.076 (2) | |
| H25A | 0.6995 | −0.176 | 0.6484 | 0.114* | |
| H25B | 0.7879 | −0.1924 | 0.7391 | 0.114* | |
| H25C | 0.8208 | −0.2117 | 0.6483 | 0.114* | |
| C26 | 1.0042 (6) | −0.1318 (4) | 0.7865 (4) | 0.078 (2) | |
| H26A | 1.0682 | −0.1451 | 0.7616 | 0.117* | |
| H26B | 0.9591 | −0.1809 | 0.7876 | 0.117* | |
| H26C | 1.0314 | −0.1113 | 0.8463 | 0.117* | |
| C27 | 1.0888 (5) | 0.0364 (5) | 0.7901 (4) | 0.0730 (18) | |
| H27A | 1.1433 | −0.0051 | 0.7828 | 0.109* | |
| H27B | 1.0837 | 0.038 | 0.8515 | 0.109* | |
| H27C | 1.1128 | 0.0899 | 0.7733 | 0.109* | |
| C28 | 0.9492 (6) | 0.1650 (4) | 0.6799 (4) | 0.0728 (19) | |
| H28A | 1.0236 | 0.1655 | 0.6671 | 0.109* | |
| H28B | 0.9536 | 0.189 | 0.7378 | 0.109* | |
| H28C | 0.8973 | 0.1969 | 0.6354 | 0.109* | |
| I1 | 0.87935 (3) | 0.06968 (3) | 0.43456 (2) | 0.05850 (16) | |
| C29 | 0.2774 (6) | 0.4708 (4) | 0.3696 (4) | 0.0684 (17) | |
| H29 | 0.2996 | 0.4802 | 0.313 | 0.082* | |
| Cl1 | 0.14519 (19) | 0.41957 (14) | 0.34585 (16) | 0.1030 (7) | |
| Cl2 | 0.3802 (2) | 0.40834 (19) | 0.43583 (18) | 0.1351 (10) | |
| Cl3 | 0.2678 (3) | 0.56550 (15) | 0.4179 (2) | 0.1352 (10) |
| C1 | 0.037 (3) | 0.036 (3) | 0.036 (2) | 0.008 (2) | 0.008 (2) | 0.002 (2) |
| C2 | 0.046 (3) | 0.038 (3) | 0.030 (2) | 0.002 (2) | 0.006 (2) | 0.000 (2) |
| C3 | 0.057 (3) | 0.048 (3) | 0.044 (3) | 0.021 (3) | 0.012 (3) | 0.006 (2) |
| C4 | 0.065 (4) | 0.056 (4) | 0.055 (3) | 0.024 (3) | 0.024 (3) | −0.005 (3) |
| C5 | 0.059 (3) | 0.056 (3) | 0.035 (3) | 0.008 (3) | 0.016 (2) | 0.002 (2) |
| C6 | 0.040 (3) | 0.036 (3) | 0.036 (3) | 0.000 (2) | 0.006 (2) | 0.001 (2) |
| C7 | 0.037 (3) | 0.041 (3) | 0.033 (2) | 0.014 (2) | 0.005 (2) | 0.007 (2) |
| C8 | 0.039 (3) | 0.047 (3) | 0.037 (3) | 0.007 (2) | 0.002 (2) | 0.006 (2) |
| C9 | 0.047 (3) | 0.053 (3) | 0.039 (3) | 0.011 (3) | 0.004 (2) | 0.000 (2) |
| C10 | 0.060 (3) | 0.054 (3) | 0.036 (3) | 0.016 (3) | 0.016 (3) | 0.008 (2) |
| C11 | 0.044 (3) | 0.049 (3) | 0.049 (3) | 0.006 (2) | 0.012 (2) | 0.015 (3) |
| C12 | 0.040 (3) | 0.041 (3) | 0.044 (3) | 0.006 (2) | 0.007 (2) | 0.003 (2) |
| C13 | 0.072 (4) | 0.064 (4) | 0.065 (4) | −0.013 (3) | 0.009 (3) | 0.006 (3) |
| C14 | 0.104 (6) | 0.096 (5) | 0.044 (3) | −0.010 (4) | 0.005 (4) | −0.015 (4) |
| C15 | 0.104 (6) | 0.109 (6) | 0.046 (4) | 0.002 (5) | 0.028 (4) | 0.015 (4) |
| C16 | 0.084 (5) | 0.080 (5) | 0.077 (5) | −0.008 (4) | 0.028 (4) | 0.025 (4) |
| C17 | 0.067 (4) | 0.072 (4) | 0.061 (4) | −0.011 (3) | 0.006 (3) | 0.003 (3) |
| C18 | 0.039 (3) | 0.040 (3) | 0.031 (2) | 0.004 (2) | 0.008 (2) | 0.007 (2) |
| C19 | 0.047 (3) | 0.044 (3) | 0.029 (2) | 0.000 (2) | 0.011 (2) | 0.002 (2) |
| C20 | 0.067 (4) | 0.038 (3) | 0.039 (3) | 0.003 (2) | 0.018 (3) | 0.002 (2) |
| C21 | 0.057 (3) | 0.055 (3) | 0.038 (3) | 0.020 (3) | 0.017 (2) | 0.011 (2) |
| C22 | 0.042 (3) | 0.062 (4) | 0.035 (3) | 0.004 (2) | 0.010 (2) | 0.005 (2) |
| C23 | 0.049 (3) | 0.049 (3) | 0.033 (2) | −0.003 (2) | 0.004 (2) | 0.004 (2) |
| C24 | 0.057 (4) | 0.060 (4) | 0.063 (4) | −0.012 (3) | 0.010 (3) | −0.006 (3) |
| C25 | 0.119 (6) | 0.037 (3) | 0.070 (4) | −0.006 (3) | 0.019 (4) | 0.005 (3) |
| C26 | 0.079 (5) | 0.078 (5) | 0.073 (4) | 0.032 (4) | 0.008 (4) | 0.028 (4) |
| C27 | 0.049 (4) | 0.103 (5) | 0.059 (4) | 0.005 (3) | −0.003 (3) | 0.011 (4) |
| C28 | 0.074 (4) | 0.065 (4) | 0.070 (4) | −0.023 (3) | −0.002 (3) | 0.008 (3) |
| I1 | 0.0572 (2) | 0.0742 (3) | 0.0485 (2) | 0.03317 (19) | 0.02111 (17) | 0.01532 (19) |
| C29 | 0.072 (4) | 0.068 (4) | 0.070 (4) | 0.006 (3) | 0.027 (3) | 0.014 (3) |
| Cl1 | 0.0842 (14) | 0.1114 (17) | 0.1078 (16) | −0.0161 (12) | 0.0108 (12) | 0.0079 (13) |
| Cl2 | 0.0936 (17) | 0.165 (3) | 0.144 (2) | 0.0425 (16) | 0.0228 (16) | 0.0602 (19) |
| Cl3 | 0.160 (3) | 0.1012 (18) | 0.150 (2) | −0.0052 (16) | 0.048 (2) | −0.0496 (16) |
| C1—C6 | 1.392 (6) | C16—H16C | 0.96 |
| C1—C2 | 1.400 (6) | C17—H17A | 0.96 |
| C1—I1 | 2.099 (4) | C17—H17B | 0.96 |
| C2—C3 | 1.381 (6) | C17—H17C | 0.96 |
| C2—C7 | 1.501 (6) | C18—C23 | 1.398 (7) |
| C3—C4 | 1.377 (7) | C18—C19 | 1.406 (7) |
| C3—H3 | 0.93 | C19—C20 | 1.400 (7) |
| C4—C5 | 1.379 (7) | C19—C24 | 1.503 (7) |
| C4—H4 | 0.93 | C20—C21 | 1.408 (8) |
| C5—C6 | 1.386 (7) | C20—C25 | 1.507 (7) |
| C5—H5 | 0.93 | C21—C22 | 1.389 (7) |
| C6—C18 | 1.492 (6) | C21—C26 | 1.514 (7) |
| C7—C12 | 1.394 (7) | C22—C23 | 1.393 (7) |
| C7—C8 | 1.398 (7) | C22—C27 | 1.518 (8) |
| C8—C9 | 1.403 (7) | C23—C28 | 1.513 (7) |
| C8—C13 | 1.507 (7) | C24—H24A | 0.96 |
| C9—C10 | 1.386 (7) | C24—H24B | 0.96 |
| C9—C14 | 1.516 (8) | C24—H24C | 0.96 |
| C10—C11 | 1.389 (7) | C25—H25A | 0.96 |
| C10—C15 | 1.521 (7) | C25—H25B | 0.96 |
| C11—C12 | 1.401 (7) | C25—H25C | 0.96 |
| C11—C16 | 1.512 (8) | C26—H26A | 0.96 |
| C12—C17 | 1.520 (7) | C26—H26B | 0.96 |
| C13—H13A | 0.96 | C26—H26C | 0.96 |
| C13—H13B | 0.96 | C27—H27A | 0.96 |
| C13—H13C | 0.96 | C27—H27B | 0.96 |
| C14—H14A | 0.96 | C27—H27C | 0.96 |
| C14—H14B | 0.96 | C28—H28A | 0.96 |
| C14—H14C | 0.96 | C28—H28B | 0.96 |
| C15—H15A | 0.96 | C28—H28C | 0.96 |
| C15—H15B | 0.96 | C29—Cl3 | 1.708 (7) |
| C15—H15C | 0.96 | C29—Cl2 | 1.729 (7) |
| C16—H16A | 0.96 | C29—Cl1 | 1.753 (7) |
| C16—H16B | 0.96 | C29—H29 | 0.98 |
| C6—C1—C2 | 122.3 (4) | C12—C17—H17A | 109.5 |
| C6—C1—I1 | 119.4 (3) | C12—C17—H17B | 109.5 |
| C2—C1—I1 | 118.3 (3) | H17A—C17—H17B | 109.5 |
| C3—C2—C1 | 117.5 (4) | C12—C17—H17C | 109.5 |
| C3—C2—C7 | 119.3 (4) | H17A—C17—H17C | 109.5 |
| C1—C2—C7 | 123.2 (4) | H17B—C17—H17C | 109.5 |
| C4—C3—C2 | 121.5 (5) | C23—C18—C19 | 120.6 (4) |
| C4—C3—H3 | 119.3 | C23—C18—C6 | 119.9 (4) |
| C2—C3—H3 | 119.3 | C19—C18—C6 | 119.5 (4) |
| C3—C4—C5 | 119.8 (5) | C20—C19—C18 | 119.7 (5) |
| C3—C4—H4 | 120.1 | C20—C19—C24 | 121.9 (5) |
| C5—C4—H4 | 120.1 | C18—C19—C24 | 118.5 (4) |
| C4—C5—C6 | 121.2 (5) | C19—C20—C21 | 119.0 (5) |
| C4—C5—H5 | 119.4 | C19—C20—C25 | 120.5 (5) |
| C6—C5—H5 | 119.4 | C21—C20—C25 | 120.4 (5) |
| C5—C6—C1 | 117.7 (4) | C22—C21—C20 | 121.0 (5) |
| C5—C6—C18 | 120.8 (4) | C22—C21—C26 | 119.6 (5) |
| C1—C6—C18 | 121.5 (4) | C20—C21—C26 | 119.4 (5) |
| C12—C7—C8 | 121.3 (4) | C21—C22—C23 | 120.0 (5) |
| C12—C7—C2 | 120.2 (4) | C21—C22—C27 | 119.5 (5) |
| C8—C7—C2 | 118.5 (4) | C23—C22—C27 | 120.5 (5) |
| C7—C8—C9 | 118.3 (5) | C22—C23—C18 | 119.7 (5) |
| C7—C8—C13 | 120.3 (5) | C22—C23—C28 | 120.9 (5) |
| C9—C8—C13 | 121.3 (5) | C18—C23—C28 | 119.5 (5) |
| C10—C9—C8 | 120.8 (5) | C19—C24—H24A | 109.5 |
| C10—C9—C14 | 120.8 (5) | C19—C24—H24B | 109.5 |
| C8—C9—C14 | 118.4 (5) | H24A—C24—H24B | 109.5 |
| C9—C10—C11 | 120.3 (5) | C19—C24—H24C | 109.5 |
| C9—C10—C15 | 120.2 (5) | H24A—C24—H24C | 109.5 |
| C11—C10—C15 | 119.6 (5) | H24B—C24—H24C | 109.5 |
| C10—C11—C12 | 120.0 (5) | C20—C25—H25A | 109.5 |
| C10—C11—C16 | 120.3 (5) | C20—C25—H25B | 109.5 |
| C12—C11—C16 | 119.7 (5) | H25A—C25—H25B | 109.5 |
| C7—C12—C11 | 119.2 (5) | C20—C25—H25C | 109.5 |
| C7—C12—C17 | 119.8 (5) | H25A—C25—H25C | 109.5 |
| C11—C12—C17 | 121.0 (5) | H25B—C25—H25C | 109.5 |
| C8—C13—H13A | 109.5 | C21—C26—H26A | 109.5 |
| C8—C13—H13B | 109.5 | C21—C26—H26B | 109.5 |
| H13A—C13—H13B | 109.5 | H26A—C26—H26B | 109.5 |
| C8—C13—H13C | 109.5 | C21—C26—H26C | 109.5 |
| H13A—C13—H13C | 109.5 | H26A—C26—H26C | 109.5 |
| H13B—C13—H13C | 109.5 | H26B—C26—H26C | 109.5 |
| C9—C14—H14A | 109.5 | C22—C27—H27A | 109.5 |
| C9—C14—H14B | 109.5 | C22—C27—H27B | 109.5 |
| H14A—C14—H14B | 109.5 | H27A—C27—H27B | 109.5 |
| C9—C14—H14C | 109.5 | C22—C27—H27C | 109.5 |
| H14A—C14—H14C | 109.5 | H27A—C27—H27C | 109.5 |
| H14B—C14—H14C | 109.5 | H27B—C27—H27C | 109.5 |
| C10—C15—H15A | 109.5 | C23—C28—H28A | 109.5 |
| C10—C15—H15B | 109.5 | C23—C28—H28B | 109.5 |
| H15A—C15—H15B | 109.5 | H28A—C28—H28B | 109.5 |
| C10—C15—H15C | 109.5 | C23—C28—H28C | 109.5 |
| H15A—C15—H15C | 109.5 | H28A—C28—H28C | 109.5 |
| H15B—C15—H15C | 109.5 | H28B—C28—H28C | 109.5 |
| C11—C16—H16A | 109.5 | Cl3—C29—Cl2 | 111.9 (4) |
| C11—C16—H16B | 109.5 | Cl3—C29—Cl1 | 111.1 (4) |
| H16A—C16—H16B | 109.5 | Cl2—C29—Cl1 | 110.0 (4) |
| C11—C16—H16C | 109.5 | Cl3—C29—H29 | 107.9 |
| H16A—C16—H16C | 109.5 | Cl2—C29—H29 | 107.9 |
| H16B—C16—H16C | 109.5 | Cl1—C29—H29 | 107.9 |
| C6—C1—C2—C3 | 0.3 (7) | C2—C7—C12—C11 | −176.4 (4) |
| I1—C1—C2—C3 | −179.4 (4) | C8—C7—C12—C17 | −176.9 (5) |
| C6—C1—C2—C7 | −177.9 (4) | C2—C7—C12—C17 | 3.3 (7) |
| I1—C1—C2—C7 | 2.5 (6) | C10—C11—C12—C7 | −2.0 (7) |
| C1—C2—C3—C4 | 0.5 (8) | C16—C11—C12—C7 | 178.1 (5) |
| C7—C2—C3—C4 | 178.8 (5) | C10—C11—C12—C17 | 178.3 (5) |
| C2—C3—C4—C5 | −1.3 (9) | C16—C11—C12—C17 | −1.5 (8) |
| C3—C4—C5—C6 | 1.3 (9) | C5—C6—C18—C23 | −94.7 (6) |
| C4—C5—C6—C1 | −0.5 (8) | C1—C6—C18—C23 | 87.5 (6) |
| C4—C5—C6—C18 | −178.3 (5) | C5—C6—C18—C19 | 85.6 (6) |
| C2—C1—C6—C5 | −0.3 (7) | C1—C6—C18—C19 | −92.2 (6) |
| I1—C1—C6—C5 | 179.3 (4) | C23—C18—C19—C20 | −1.4 (7) |
| C2—C1—C6—C18 | 177.5 (4) | C6—C18—C19—C20 | 178.3 (4) |
| I1—C1—C6—C18 | −2.8 (6) | C23—C18—C19—C24 | −179.5 (5) |
| C3—C2—C7—C12 | 89.3 (6) | C6—C18—C19—C24 | 0.2 (7) |
| C1—C2—C7—C12 | −92.5 (6) | C18—C19—C20—C21 | −0.8 (7) |
| C3—C2—C7—C8 | −90.5 (6) | C24—C19—C20—C21 | 177.2 (5) |
| C1—C2—C7—C8 | 87.7 (6) | C18—C19—C20—C25 | 178.3 (5) |
| C12—C7—C8—C9 | −1.7 (7) | C24—C19—C20—C25 | −3.7 (8) |
| C2—C7—C8—C9 | 178.1 (4) | C19—C20—C21—C22 | 1.5 (7) |
| C12—C7—C8—C13 | −179.9 (5) | C25—C20—C21—C22 | −177.6 (5) |
| C2—C7—C8—C13 | −0.2 (7) | C19—C20—C21—C26 | −178.1 (5) |
| C7—C8—C9—C10 | −1.4 (7) | C25—C20—C21—C26 | 2.8 (8) |
| C13—C8—C9—C10 | 176.8 (5) | C20—C21—C22—C23 | 0.1 (7) |
| C7—C8—C9—C14 | −180.0 (5) | C26—C21—C22—C23 | 179.7 (5) |
| C13—C8—C9—C14 | −1.8 (8) | C20—C21—C22—C27 | 179.8 (5) |
| C8—C9—C10—C11 | 2.7 (8) | C26—C21—C22—C27 | −0.6 (8) |
| C14—C9—C10—C11 | −178.7 (5) | C21—C22—C23—C18 | −2.3 (7) |
| C8—C9—C10—C15 | −175.7 (5) | C27—C22—C23—C18 | 178.0 (5) |
| C14—C9—C10—C15 | 2.8 (8) | C21—C22—C23—C28 | 179.5 (5) |
| C9—C10—C11—C12 | −1.0 (8) | C27—C22—C23—C28 | −0.2 (8) |
| C15—C10—C11—C12 | 177.5 (5) | C19—C18—C23—C22 | 3.0 (7) |
| C9—C10—C11—C16 | 178.8 (5) | C6—C18—C23—C22 | −176.7 (4) |
| C15—C10—C11—C16 | −2.7 (8) | C19—C18—C23—C28 | −178.7 (5) |
| C8—C7—C12—C11 | 3.4 (7) | C6—C18—C23—C28 | 1.5 (7) |
| Cg2 and C3 are the centroids of the C7–C12 and C18–C23 benzene rings, respectively. |
| H··· | ||||
| C26—H26A···Cg2i | 0.96 | 3.86 (1) | 2.97 | 155 |
| C28—H28A···Cg2ii | 0.96 | 3.53 (1) | 2.87 | 127 |
| C29—H29···Cg3iii | 0.98 | 3.42 (1) | 2.44 | 177 |
| C1—I1···Cg3i | 2.099 (4) | 3.975 (2) | 6.026 (5) | 164.67 (13) |
C—H⋯π interactions (Å, °)
Cg2 and C3 are the centroids of the C7–C12 and C18–C23 benzene rings, respectively.
| H⋯ | ||||
|---|---|---|---|---|
| C26—H26 | 0.96 | 3.86 (1) | 2.97 | 155 |
| C28—H28 | 0.96 | 3.53 (1) | 2.87 | 127 |
| C29—H29⋯ | 0.98 | 3.42 (1) | 2.44 | 177 |
Symmetry codes: (i) ; (ii) ; (iii) .
C—I⋯π interactions (Å, °)
Cg3 is the centroid of the C18–C23 benzene ring.
| C1—I1⋯ | 2.099 (4) | 3.975 (2) | 6.026 (5) | 164.67 (13) |
Symmetry code: (i) .