| Literature DB >> 22219868 |
Hoong-Kun Fun, Tze Shyang Chia, Shridhar Malladi, Arun M Isloor, Kammasandra N Shivananda.
Abstract
The title compound, C(30)H(24)N(4), contains two pyrazole rings and four phenyl rings. The pyrazole rings are essentially planar, with maximum deviations of 0.003 (1) and 0.066 (1) Å and make a dihedral angle of 73.43 (6)°. The two pyrazole rings make dihedral angles of 40.08 (6), 9.28 (6), 15.78 (8) and 17.25 (7)° with their attached phenyl rings. In the crystal, there are no significant inter-molecular hydrogen-bonding inter-actions. The crystal structure is stabilized by C-H⋯π inter-actions.Entities:
Year: 2011 PMID: 22219868 PMCID: PMC3247563 DOI: 10.1107/S1600536811039869
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| C30H24N4 | |
| Monoclinic, | Mo |
| Hall symbol: -P 2ybc | Cell parameters from 6778 reflections |
| θ = 2.9–30.3° | |
| µ = 0.08 mm−1 | |
| β = 113.359 (2)° | Block, colourless |
| 0.56 × 0.54 × 0.36 mm | |
| Bruker APEX DUO CCD area-detector diffractometer | 7042 independent reflections |
| Radiation source: fine-focus sealed tube | 5057 reflections with |
| graphite | |
| φ and ω scans | θmax = 30.4°, θmin = 2.1° |
| Absorption correction: multi-scan ( | |
| 22465 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 | |
| 7042 reflections | (Δ/σ)max = 0.001 |
| 307 parameters | Δρmax = 0.19 e Å−3 |
| 0 restraints | Δρmin = −0.17 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 |
| N1 | 0.94191 (8) | 0.14967 (8) | 0.85152 (4) | 0.0419 (2) | |
| N2 | 1.01177 (8) | 0.04544 (8) | 0.87428 (4) | 0.0420 (2) | |
| N3 | 0.56225 (8) | 0.05489 (10) | 0.84967 (4) | 0.0491 (2) | |
| N4 | 0.51695 (9) | 0.12835 (9) | 0.88820 (5) | 0.0455 (2) | |
| C1 | 0.49306 (18) | 0.27780 (16) | 0.99429 (8) | 0.0766 (4) | |
| H1A | 0.4525 | 0.3083 | 0.9505 | 0.092* | |
| C2 | 0.4751 (2) | 0.3365 (2) | 1.04702 (9) | 0.0983 (6) | |
| H2A | 0.4230 | 0.4063 | 1.0385 | 0.118* | |
| C3 | 0.53416 (19) | 0.29191 (19) | 1.11214 (8) | 0.0857 (5) | |
| H3A | 0.5219 | 0.3315 | 1.1475 | 0.103* | |
| C4 | 0.61059 (15) | 0.18962 (16) | 1.12451 (7) | 0.0681 (4) | |
| H4A | 0.6501 | 0.1592 | 1.1684 | 0.082* | |
| C5 | 0.62987 (12) | 0.13063 (13) | 1.07223 (6) | 0.0548 (3) | |
| H5A | 0.6828 | 0.0612 | 1.0814 | 0.066* | |
| C6 | 0.57077 (11) | 0.17416 (12) | 1.00623 (6) | 0.0493 (3) | |
| C7 | 0.59097 (10) | 0.10939 (11) | 0.95147 (5) | 0.0442 (2) | |
| C8 | 0.69495 (11) | 0.01206 (12) | 0.96309 (6) | 0.0495 (3) | |
| H8A | 0.6731 | −0.0596 | 0.9828 | 0.059* | |
| H8B | 0.7843 | 0.0401 | 0.9924 | 0.059* | |
| C9 | 0.68557 (10) | −0.01291 (11) | 0.89089 (5) | 0.0439 (2) | |
| H9A | 0.6726 | −0.0995 | 0.8807 | 0.053* | |
| C10 | 0.80458 (10) | 0.03321 (10) | 0.87806 (5) | 0.0410 (2) | |
| C11 | 0.92896 (10) | −0.02591 (10) | 0.89020 (5) | 0.0396 (2) | |
| C12 | 0.97411 (10) | −0.14903 (10) | 0.91534 (5) | 0.0419 (2) | |
| C13 | 0.94926 (13) | −0.19930 (12) | 0.96866 (6) | 0.0544 (3) | |
| H13A | 0.8983 | −0.1568 | 0.9876 | 0.065* | |
| C14 | 1.00005 (17) | −0.31211 (13) | 0.99366 (7) | 0.0673 (4) | |
| H14A | 0.9834 | −0.3449 | 1.0295 | 0.081* | |
| C15 | 1.07492 (15) | −0.37602 (13) | 0.96598 (7) | 0.0671 (4) | |
| H15A | 1.1089 | −0.4518 | 0.9831 | 0.080* | |
| C16 | 1.09970 (13) | −0.32790 (12) | 0.91289 (7) | 0.0615 (3) | |
| H16A | 1.1506 | −0.3711 | 0.8942 | 0.074* | |
| C17 | 1.04886 (11) | −0.21513 (11) | 0.88733 (6) | 0.0504 (3) | |
| H17A | 1.0649 | −0.1834 | 0.8511 | 0.061* | |
| C18 | 1.00229 (11) | 0.24748 (10) | 0.83059 (5) | 0.0429 (2) | |
| C19 | 1.13800 (13) | 0.24282 (13) | 0.84213 (7) | 0.0610 (3) | |
| H19A | 1.1901 | 0.1762 | 0.8636 | 0.073* | |
| C20 | 1.19517 (14) | 0.33842 (14) | 0.82140 (8) | 0.0667 (4) | |
| H20A | 1.2862 | 0.3354 | 0.8290 | 0.080* | |
| C21 | 1.12019 (15) | 0.43753 (13) | 0.78986 (7) | 0.0619 (3) | |
| H21A | 1.1598 | 0.5011 | 0.7761 | 0.074* | |
| C22 | 0.98606 (16) | 0.44169 (13) | 0.77892 (7) | 0.0657 (4) | |
| H22A | 0.9346 | 0.5088 | 0.7578 | 0.079* | |
| C23 | 0.92646 (13) | 0.34718 (12) | 0.79900 (6) | 0.0561 (3) | |
| H23A | 0.8353 | 0.3508 | 0.7912 | 0.067* | |
| C24 | 0.81716 (10) | 0.14420 (11) | 0.85323 (5) | 0.0447 (2) | |
| H24A | 0.7523 | 0.2050 | 0.8399 | 0.054* | |
| C25 | 0.51983 (12) | −0.05529 (12) | 0.74638 (6) | 0.0519 (3) | |
| H25A | 0.5994 | −0.0987 | 0.7678 | 0.062* | |
| C26 | 0.43826 (13) | −0.07908 (14) | 0.67931 (6) | 0.0601 (3) | |
| H26A | 0.4622 | −0.1400 | 0.6564 | 0.072* | |
| C27 | 0.32226 (13) | −0.01377 (15) | 0.64623 (6) | 0.0661 (4) | |
| H27A | 0.2683 | −0.0298 | 0.6010 | 0.079* | |
| C28 | 0.28672 (12) | 0.07572 (15) | 0.68070 (6) | 0.0634 (4) | |
| H28A | 0.2087 | 0.1206 | 0.6583 | 0.076* | |
| C29 | 0.36529 (11) | 0.09971 (12) | 0.74803 (6) | 0.0511 (3) | |
| H29A | 0.3396 | 0.1599 | 0.7708 | 0.061* | |
| C30 | 0.48330 (10) | 0.03349 (10) | 0.78193 (5) | 0.0417 (2) |
| N1 | 0.0377 (4) | 0.0422 (5) | 0.0463 (4) | 0.0033 (4) | 0.0172 (3) | 0.0007 (4) |
| N2 | 0.0369 (4) | 0.0416 (5) | 0.0467 (4) | 0.0037 (4) | 0.0158 (3) | 0.0003 (4) |
| N3 | 0.0339 (4) | 0.0674 (7) | 0.0420 (4) | 0.0082 (4) | 0.0110 (3) | −0.0068 (4) |
| N4 | 0.0390 (4) | 0.0527 (6) | 0.0462 (5) | −0.0005 (4) | 0.0186 (4) | −0.0038 (4) |
| C1 | 0.0935 (11) | 0.0828 (11) | 0.0567 (7) | 0.0240 (9) | 0.0331 (7) | 0.0010 (7) |
| C2 | 0.1249 (16) | 0.1000 (14) | 0.0798 (11) | 0.0404 (12) | 0.0507 (11) | −0.0055 (10) |
| C3 | 0.0965 (12) | 0.1080 (14) | 0.0648 (9) | 0.0062 (11) | 0.0450 (9) | −0.0180 (9) |
| C4 | 0.0662 (8) | 0.0947 (11) | 0.0492 (7) | −0.0118 (8) | 0.0289 (6) | −0.0060 (7) |
| C5 | 0.0488 (6) | 0.0685 (8) | 0.0501 (6) | −0.0091 (6) | 0.0230 (5) | −0.0019 (6) |
| C6 | 0.0452 (6) | 0.0596 (7) | 0.0473 (6) | −0.0063 (5) | 0.0230 (5) | −0.0048 (5) |
| C7 | 0.0372 (5) | 0.0518 (6) | 0.0456 (5) | −0.0070 (4) | 0.0186 (4) | −0.0025 (5) |
| C8 | 0.0356 (5) | 0.0677 (8) | 0.0440 (5) | 0.0006 (5) | 0.0146 (4) | 0.0007 (5) |
| C9 | 0.0318 (4) | 0.0536 (6) | 0.0442 (5) | 0.0019 (4) | 0.0129 (4) | −0.0013 (5) |
| C10 | 0.0337 (4) | 0.0474 (6) | 0.0404 (5) | 0.0011 (4) | 0.0132 (4) | −0.0033 (4) |
| C11 | 0.0338 (4) | 0.0442 (6) | 0.0388 (5) | 0.0004 (4) | 0.0121 (4) | −0.0027 (4) |
| C12 | 0.0336 (4) | 0.0435 (6) | 0.0426 (5) | −0.0026 (4) | 0.0086 (4) | −0.0017 (4) |
| C13 | 0.0614 (7) | 0.0534 (7) | 0.0468 (6) | −0.0032 (6) | 0.0198 (5) | −0.0020 (5) |
| C14 | 0.0897 (10) | 0.0547 (8) | 0.0492 (6) | −0.0078 (7) | 0.0187 (6) | 0.0067 (6) |
| C15 | 0.0713 (8) | 0.0439 (7) | 0.0641 (8) | 0.0017 (6) | 0.0036 (6) | 0.0054 (6) |
| C16 | 0.0517 (7) | 0.0503 (7) | 0.0751 (8) | 0.0077 (6) | 0.0171 (6) | −0.0033 (6) |
| C17 | 0.0425 (5) | 0.0485 (6) | 0.0598 (7) | 0.0032 (5) | 0.0197 (5) | 0.0025 (5) |
| C18 | 0.0463 (5) | 0.0430 (6) | 0.0411 (5) | −0.0002 (5) | 0.0191 (4) | −0.0030 (4) |
| C19 | 0.0487 (6) | 0.0565 (8) | 0.0801 (9) | 0.0042 (6) | 0.0281 (6) | 0.0130 (7) |
| C20 | 0.0558 (7) | 0.0690 (9) | 0.0812 (9) | −0.0076 (7) | 0.0334 (7) | 0.0055 (7) |
| C21 | 0.0755 (9) | 0.0559 (8) | 0.0617 (7) | −0.0086 (7) | 0.0350 (7) | 0.0027 (6) |
| C22 | 0.0761 (9) | 0.0554 (8) | 0.0710 (8) | 0.0095 (7) | 0.0349 (7) | 0.0169 (7) |
| C23 | 0.0534 (6) | 0.0566 (7) | 0.0602 (7) | 0.0079 (6) | 0.0247 (5) | 0.0097 (6) |
| C24 | 0.0367 (5) | 0.0479 (6) | 0.0493 (5) | 0.0064 (4) | 0.0168 (4) | −0.0003 (5) |
| C25 | 0.0448 (6) | 0.0620 (8) | 0.0486 (6) | 0.0007 (5) | 0.0182 (5) | −0.0040 (5) |
| C26 | 0.0602 (7) | 0.0720 (9) | 0.0511 (6) | −0.0144 (6) | 0.0255 (6) | −0.0142 (6) |
| C27 | 0.0547 (7) | 0.0906 (11) | 0.0434 (6) | −0.0177 (7) | 0.0093 (5) | −0.0051 (6) |
| C28 | 0.0436 (6) | 0.0807 (10) | 0.0535 (7) | −0.0010 (6) | 0.0062 (5) | 0.0092 (7) |
| C29 | 0.0395 (5) | 0.0578 (7) | 0.0522 (6) | 0.0019 (5) | 0.0141 (5) | 0.0022 (5) |
| C30 | 0.0326 (4) | 0.0514 (6) | 0.0407 (5) | −0.0046 (4) | 0.0141 (4) | −0.0004 (4) |
| N1—N2 | 1.3576 (12) | C13—H13A | 0.9300 |
| N1—C24 | 1.3617 (14) | C14—C15 | 1.373 (2) |
| N1—C18 | 1.4241 (14) | C14—H14A | 0.9300 |
| N2—C11 | 1.3339 (14) | C15—C16 | 1.377 (2) |
| N3—N4 | 1.3798 (13) | C15—H15A | 0.9300 |
| N3—C30 | 1.3843 (13) | C16—C17 | 1.3851 (18) |
| N3—C9 | 1.4768 (13) | C16—H16A | 0.9300 |
| N4—C7 | 1.2917 (14) | C17—H17A | 0.9300 |
| C1—C6 | 1.382 (2) | C18—C23 | 1.3801 (16) |
| C1—C2 | 1.384 (2) | C18—C19 | 1.3850 (16) |
| C1—H1A | 0.9300 | C19—C20 | 1.3834 (19) |
| C2—C3 | 1.378 (3) | C19—H19A | 0.9300 |
| C2—H2A | 0.9300 | C20—C21 | 1.371 (2) |
| C3—C4 | 1.362 (3) | C20—H20A | 0.9300 |
| C3—H3A | 0.9300 | C21—C22 | 1.371 (2) |
| C4—C5 | 1.3839 (19) | C21—H21A | 0.9300 |
| C4—H4A | 0.9300 | C22—C23 | 1.3826 (19) |
| C5—C6 | 1.3899 (17) | C22—H22A | 0.9300 |
| C5—H5A | 0.9300 | C23—H23A | 0.9300 |
| C6—C7 | 1.4653 (16) | C24—H24A | 0.9300 |
| C7—C8 | 1.5021 (17) | C25—C26 | 1.3835 (17) |
| C8—C9 | 1.5388 (15) | C25—C30 | 1.3931 (17) |
| C8—H8A | 0.9700 | C25—H25A | 0.9300 |
| C8—H8B | 0.9700 | C26—C27 | 1.373 (2) |
| C9—C10 | 1.5045 (15) | C26—H26A | 0.9300 |
| C9—H9A | 0.9800 | C27—C28 | 1.378 (2) |
| C10—C24 | 1.3663 (16) | C27—H27A | 0.9300 |
| C10—C11 | 1.4202 (14) | C28—C29 | 1.3814 (17) |
| C11—C12 | 1.4743 (15) | C28—H28A | 0.9300 |
| C12—C17 | 1.3895 (16) | C29—C30 | 1.3968 (15) |
| C12—C13 | 1.3914 (16) | C29—H29A | 0.9300 |
| C13—C14 | 1.382 (2) | ||
| N2—N1—C24 | 111.45 (9) | C12—C13—H13A | 119.9 |
| N2—N1—C18 | 120.04 (8) | C15—C14—C13 | 120.44 (13) |
| C24—N1—C18 | 128.50 (9) | C15—C14—H14A | 119.8 |
| C11—N2—N1 | 105.20 (8) | C13—C14—H14A | 119.8 |
| N4—N3—C30 | 120.98 (8) | C14—C15—C16 | 120.01 (13) |
| N4—N3—C9 | 112.84 (8) | C14—C15—H15A | 120.0 |
| C30—N3—C9 | 125.15 (9) | C16—C15—H15A | 120.0 |
| C7—N4—N3 | 108.52 (9) | C15—C16—C17 | 119.98 (13) |
| C6—C1—C2 | 120.52 (15) | C15—C16—H16A | 120.0 |
| C6—C1—H1A | 119.7 | C17—C16—H16A | 120.0 |
| C2—C1—H1A | 119.7 | C16—C17—C12 | 120.56 (12) |
| C3—C2—C1 | 120.35 (17) | C16—C17—H17A | 119.7 |
| C3—C2—H2A | 119.8 | C12—C17—H17A | 119.7 |
| C1—C2—H2A | 119.8 | C23—C18—C19 | 119.72 (11) |
| C4—C3—C2 | 119.68 (15) | C23—C18—N1 | 120.40 (10) |
| C4—C3—H3A | 120.2 | C19—C18—N1 | 119.88 (10) |
| C2—C3—H3A | 120.2 | C20—C19—C18 | 119.22 (12) |
| C3—C4—C5 | 120.46 (14) | C20—C19—H19A | 120.4 |
| C3—C4—H4A | 119.8 | C18—C19—H19A | 120.4 |
| C5—C4—H4A | 119.8 | C21—C20—C19 | 121.28 (13) |
| C4—C5—C6 | 120.60 (14) | C21—C20—H20A | 119.4 |
| C4—C5—H5A | 119.7 | C19—C20—H20A | 119.4 |
| C6—C5—H5A | 119.7 | C20—C21—C22 | 119.14 (13) |
| C1—C6—C5 | 118.38 (12) | C20—C21—H21A | 120.4 |
| C1—C6—C7 | 121.90 (11) | C22—C21—H21A | 120.4 |
| C5—C6—C7 | 119.71 (12) | C21—C22—C23 | 120.70 (13) |
| N4—C7—C6 | 122.61 (11) | C21—C22—H22A | 119.7 |
| N4—C7—C8 | 113.59 (10) | C23—C22—H22A | 119.7 |
| C6—C7—C8 | 123.76 (10) | C18—C23—C22 | 119.95 (12) |
| C7—C8—C9 | 102.40 (9) | C18—C23—H23A | 120.0 |
| C7—C8—H8A | 111.3 | C22—C23—H23A | 120.0 |
| C9—C8—H8A | 111.3 | N1—C24—C10 | 107.60 (9) |
| C7—C8—H8B | 111.3 | N1—C24—H24A | 126.2 |
| C9—C8—H8B | 111.3 | C10—C24—H24A | 126.2 |
| H8A—C8—H8B | 109.2 | C26—C25—C30 | 120.24 (12) |
| N3—C9—C10 | 110.42 (9) | C26—C25—H25A | 119.9 |
| N3—C9—C8 | 101.35 (8) | C30—C25—H25A | 119.9 |
| C10—C9—C8 | 113.82 (9) | C27—C26—C25 | 120.76 (13) |
| N3—C9—H9A | 110.3 | C27—C26—H26A | 119.6 |
| C10—C9—H9A | 110.3 | C25—C26—H26A | 119.6 |
| C8—C9—H9A | 110.3 | C26—C27—C28 | 119.33 (11) |
| C24—C10—C11 | 104.63 (9) | C26—C27—H27A | 120.3 |
| C24—C10—C9 | 126.87 (10) | C28—C27—H27A | 120.3 |
| C11—C10—C9 | 128.49 (10) | C27—C28—C29 | 120.97 (12) |
| N2—C11—C10 | 111.11 (10) | C27—C28—H28A | 119.5 |
| N2—C11—C12 | 118.86 (9) | C29—C28—H28A | 119.5 |
| C10—C11—C12 | 130.02 (10) | C28—C29—C30 | 119.94 (12) |
| C17—C12—C13 | 118.71 (11) | C28—C29—H29A | 120.0 |
| C17—C12—C11 | 119.42 (10) | C30—C29—H29A | 120.0 |
| C13—C12—C11 | 121.80 (10) | N3—C30—C25 | 120.47 (10) |
| C14—C13—C12 | 120.29 (13) | N3—C30—C29 | 120.79 (10) |
| C14—C13—H13A | 119.9 | C25—C30—C29 | 118.74 (10) |
| C24—N1—N2—C11 | 0.15 (11) | N2—C11—C12—C13 | 138.80 (11) |
| C18—N1—N2—C11 | 179.35 (9) | C10—C11—C12—C13 | −42.50 (16) |
| C30—N3—N4—C7 | 163.87 (10) | C17—C12—C13—C14 | 0.96 (17) |
| C9—N3—N4—C7 | −5.10 (13) | C11—C12—C13—C14 | −176.08 (11) |
| C6—C1—C2—C3 | −0.3 (3) | C12—C13—C14—C15 | −0.3 (2) |
| C1—C2—C3—C4 | 0.1 (3) | C13—C14—C15—C16 | −0.1 (2) |
| C2—C3—C4—C5 | 0.3 (3) | C14—C15—C16—C17 | −0.1 (2) |
| C3—C4—C5—C6 | −0.5 (2) | C15—C16—C17—C12 | 0.78 (19) |
| C2—C1—C6—C5 | 0.1 (2) | C13—C12—C17—C16 | −1.18 (17) |
| C2—C1—C6—C7 | 179.55 (16) | C11—C12—C17—C16 | 175.93 (10) |
| C4—C5—C6—C1 | 0.28 (19) | N2—N1—C18—C23 | 171.28 (10) |
| C4—C5—C6—C7 | −179.17 (11) | C24—N1—C18—C23 | −9.67 (17) |
| N3—N4—C7—C6 | 179.29 (10) | N2—N1—C18—C19 | −8.90 (15) |
| N3—N4—C7—C8 | −2.93 (13) | C24—N1—C18—C19 | 170.15 (12) |
| C1—C6—C7—N4 | −15.00 (19) | C23—C18—C19—C20 | −0.3 (2) |
| C5—C6—C7—N4 | 164.43 (11) | N1—C18—C19—C20 | 179.88 (12) |
| C1—C6—C7—C8 | 167.43 (13) | C18—C19—C20—C21 | 0.2 (2) |
| C5—C6—C7—C8 | −13.13 (17) | C19—C20—C21—C22 | 0.2 (2) |
| N4—C7—C8—C9 | 9.08 (13) | C20—C21—C22—C23 | −0.3 (2) |
| C6—C7—C8—C9 | −173.16 (10) | C19—C18—C23—C22 | 0.14 (19) |
| N4—N3—C9—C10 | −110.71 (10) | N1—C18—C23—C22 | 179.96 (12) |
| C30—N3—C9—C10 | 80.87 (13) | C21—C22—C23—C18 | 0.2 (2) |
| N4—N3—C9—C8 | 10.24 (12) | N2—N1—C24—C10 | 0.20 (12) |
| C30—N3—C9—C8 | −158.19 (11) | C18—N1—C24—C10 | −178.92 (10) |
| C7—C8—C9—N3 | −10.62 (11) | C11—C10—C24—N1 | −0.44 (11) |
| C7—C8—C9—C10 | 107.91 (10) | C9—C10—C24—N1 | 178.21 (10) |
| N3—C9—C10—C24 | 22.18 (15) | C30—C25—C26—C27 | 1.7 (2) |
| C8—C9—C10—C24 | −91.02 (13) | C25—C26—C27—C28 | −0.5 (2) |
| N3—C9—C10—C11 | −159.50 (10) | C26—C27—C28—C29 | −0.6 (2) |
| C8—C9—C10—C11 | 87.30 (14) | C27—C28—C29—C30 | 0.6 (2) |
| N1—N2—C11—C10 | −0.43 (11) | N4—N3—C30—C25 | −169.65 (11) |
| N1—N2—C11—C12 | 178.50 (8) | C9—N3—C30—C25 | −2.11 (17) |
| C24—C10—C11—N2 | 0.55 (12) | N4—N3—C30—C29 | 9.94 (17) |
| C9—C10—C11—N2 | −178.06 (10) | C9—N3—C30—C29 | 177.48 (11) |
| C24—C10—C11—C12 | −178.22 (10) | C26—C25—C30—N3 | 177.86 (11) |
| C9—C10—C11—C12 | 3.16 (18) | C26—C25—C30—C29 | −1.74 (18) |
| N2—C11—C12—C17 | −38.22 (14) | C28—C29—C30—N3 | −178.99 (12) |
| C10—C11—C12—C17 | 140.48 (11) | C28—C29—C30—C25 | 0.61 (18) |
| H··· | ||||
| C8—H8A···Cg1i | 0.97 | 2.95 | 3.6999 (15) | 135 |
Hydrogen-bond geometry (Å, °)
Cg1 is the centroid of the C1–C6 ring.
| H⋯ | ||||
|---|---|---|---|---|
| C8—H8 | 0.97 | 2.95 | 3.6999 (15) | 135 |
Symmetry code: (i) .