| Literature DB >> 21754558 |
Hojin Yang1, Tae Ho Kim, Ki-Min Park, Jineun Kim.
Abstract
In the title compound, C(26)H(21)F(6)NO(5), the dihedral angle between the cyclo-propane ring plane and the vinyl group plane is 79.3 (3)°. The dihedral angle between the benzene and phenyl ring planes in the phen-oxy-benzyl group is 82.7 (1)°. In the crystal structure, weak inter-molecular C-H⋯π inter-actions and C-H⋯F hydrogen bonds contribute to the stabilization of the packing.Entities:
Year: 2011 PMID: 21754558 PMCID: PMC3089073 DOI: 10.1107/S1600536811014760
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| C26H21F6NO5 | |
| Orthorhombic, | Mo |
| Hall symbol: P 2ac 2ab | Cell parameters from 6226 reflections |
| θ = 2.3–23.1° | |
| µ = 0.13 mm−1 | |
| Plate, colourless | |
| 0.17 × 0.14 × 0.13 mm |
| Bruker APEXII CCD diffractometer | 3634 independent reflections |
| Radiation source: fine-focus sealed tube | 2868 reflections with |
| graphite | |
| φ and ω scans | θmax = 28.3°, θmin = 2.2° |
| Absorption correction: multi-scan ( | |
| 24962 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 | |
| 3634 reflections | (Δ/σ)max = 0.001 |
| 345 parameters | Δρmax = 0.29 e Å−3 |
| 0 restraints | Δρmin = −0.20 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 |
| F1 | 0.9406 (3) | 0.7188 (4) | 0.39798 (7) | 0.1086 (9) | |
| F2 | 0.8936 (3) | 0.6123 (3) | 0.44823 (6) | 0.0915 (7) | |
| F3 | 0.9197 (3) | 0.8418 (3) | 0.44673 (7) | 0.0964 (8) | |
| F4 | 0.5707 (4) | 0.6522 (2) | 0.47933 (5) | 0.0852 (7) | |
| F5 | 0.5953 (4) | 0.8812 (2) | 0.47448 (6) | 0.1013 (9) | |
| F6 | 0.3792 (3) | 0.7694 (3) | 0.44896 (7) | 0.0873 (7) | |
| O1 | 0.6010 (3) | 0.61863 (19) | 0.40474 (5) | 0.0423 (5) | |
| O2 | 0.4704 (3) | 0.7556 (2) | 0.36230 (5) | 0.0566 (6) | |
| O3 | 0.3658 (3) | 0.3918 (2) | 0.25488 (5) | 0.0545 (6) | |
| O4 | 0.3278 (2) | 0.57874 (18) | 0.21721 (4) | 0.0337 (4) | |
| O5 | −0.0634 (2) | 0.6201 (3) | 0.10760 (5) | 0.0673 (8) | |
| N1 | 0.7583 (4) | 0.5008 (3) | 0.20012 (6) | 0.0564 (7) | |
| C1 | 0.8548 (5) | 0.7284 (4) | 0.42894 (10) | 0.0629 (9) | |
| C2 | 0.5516 (5) | 0.7623 (4) | 0.45687 (9) | 0.0610 (9) | |
| C3 | 0.6580 (4) | 0.7456 (3) | 0.42269 (7) | 0.0431 (7) | |
| H3 | 0.6367 | 0.8309 | 0.4067 | 0.052* | |
| C4 | 0.5049 (4) | 0.6380 (3) | 0.37320 (7) | 0.0375 (6) | |
| C5 | 0.4624 (4) | 0.4984 (3) | 0.35754 (6) | 0.0412 (7) | |
| H5 | 0.5242 | 0.4163 | 0.3665 | 0.049* | |
| C6 | 0.3425 (4) | 0.4784 (3) | 0.33150 (6) | 0.0412 (7) | |
| H6 | 0.3310 | 0.3832 | 0.3223 | 0.049* | |
| C7 | 0.2268 (4) | 0.5881 (3) | 0.31574 (6) | 0.0366 (6) | |
| H7 | 0.2238 | 0.6811 | 0.3295 | 0.044* | |
| C8 | 0.0544 (4) | 0.5510 (3) | 0.29675 (7) | 0.0437 (7) | |
| C9 | 0.2095 (4) | 0.6050 (3) | 0.27442 (6) | 0.0384 (6) | |
| H9 | 0.1973 | 0.7070 | 0.2659 | 0.046* | |
| C10 | −0.0072 (5) | 0.3963 (4) | 0.29394 (9) | 0.0660 (10) | |
| H10B | 0.0954 | 0.3340 | 0.2888 | 0.099* | |
| H10A | −0.0947 | 0.3877 | 0.2743 | 0.099* | |
| H10C | −0.0622 | 0.3670 | 0.3169 | 0.099* | |
| C11 | −0.0958 (4) | 0.6583 (4) | 0.30134 (9) | 0.0614 (9) | |
| H11A | −0.1767 | 0.6520 | 0.2805 | 0.092* | |
| H11B | −0.0465 | 0.7560 | 0.3029 | 0.092* | |
| H11C | −0.1617 | 0.6364 | 0.3236 | 0.092* | |
| C12 | 0.3083 (4) | 0.5105 (3) | 0.24965 (6) | 0.0378 (6) | |
| C13 | 0.4145 (3) | 0.4969 (3) | 0.18922 (6) | 0.0304 (5) | |
| H13 | 0.3725 | 0.3946 | 0.1905 | 0.036* | |
| C14 | 0.6090 (4) | 0.4999 (3) | 0.19511 (6) | 0.0394 (6) | |
| C15 | 0.3567 (3) | 0.5607 (3) | 0.15333 (6) | 0.0278 (5) | |
| C16 | 0.4784 (3) | 0.6086 (3) | 0.12799 (6) | 0.0314 (5) | |
| H16 | 0.6028 | 0.6030 | 0.1328 | 0.038* | |
| C17 | 0.4178 (3) | 0.6650 (3) | 0.09551 (6) | 0.0344 (6) | |
| H17 | 0.5014 | 0.6983 | 0.0781 | 0.041* | |
| C18 | 0.2380 (3) | 0.6735 (3) | 0.08809 (6) | 0.0339 (6) | |
| H18 | 0.1972 | 0.7142 | 0.0660 | 0.041* | |
| C19 | 0.1186 (3) | 0.6220 (3) | 0.11322 (7) | 0.0369 (6) | |
| C20 | 0.1758 (3) | 0.5663 (3) | 0.14596 (6) | 0.0371 (6) | |
| H20 | 0.0918 | 0.5321 | 0.1632 | 0.044* | |
| C21 | −0.1298 (3) | 0.6912 (4) | 0.07707 (7) | 0.0426 (7) | |
| C22 | −0.1479 (4) | 0.8371 (4) | 0.07716 (8) | 0.0487 (7) | |
| H22 | −0.1069 | 0.8922 | 0.0972 | 0.058* | |
| C23 | −0.2266 (4) | 0.9048 (4) | 0.04787 (9) | 0.0542 (8) | |
| H23 | −0.2392 | 1.0068 | 0.0477 | 0.065* | |
| C24 | −0.2859 (4) | 0.8259 (4) | 0.01934 (8) | 0.0506 (8) | |
| H24 | −0.3414 | 0.8728 | −0.0006 | 0.061* | |
| C25 | −0.2664 (4) | 0.6809 (4) | 0.01912 (8) | 0.0522 (8) | |
| H25 | −0.3072 | 0.6267 | −0.0011 | 0.063* | |
| C26 | −0.1869 (4) | 0.6104 (4) | 0.04824 (8) | 0.0501 (7) | |
| H26 | −0.1727 | 0.5086 | 0.0481 | 0.060* |
| F1 | 0.0654 (14) | 0.164 (3) | 0.0968 (17) | −0.0054 (18) | 0.0156 (14) | 0.0000 (18) |
| F2 | 0.0805 (16) | 0.0831 (15) | 0.1108 (17) | 0.0176 (14) | −0.0389 (14) | 0.0186 (14) |
| F3 | 0.0823 (16) | 0.0920 (17) | 0.1148 (18) | −0.0321 (14) | −0.0483 (15) | 0.0006 (15) |
| F4 | 0.128 (2) | 0.0805 (14) | 0.0467 (10) | −0.0099 (15) | 0.0096 (13) | 0.0122 (11) |
| F5 | 0.148 (2) | 0.0745 (14) | 0.0815 (14) | −0.0317 (17) | 0.0167 (16) | −0.0427 (13) |
| F6 | 0.0680 (14) | 0.0754 (15) | 0.1185 (19) | 0.0067 (13) | 0.0178 (14) | −0.0171 (15) |
| O1 | 0.0582 (12) | 0.0328 (9) | 0.0358 (9) | 0.0009 (10) | −0.0143 (9) | 0.0010 (8) |
| O2 | 0.0780 (16) | 0.0350 (10) | 0.0567 (12) | −0.0099 (11) | −0.0328 (12) | 0.0126 (10) |
| O3 | 0.0876 (16) | 0.0437 (11) | 0.0322 (9) | 0.0203 (12) | 0.0059 (10) | 0.0060 (9) |
| O4 | 0.0429 (10) | 0.0363 (9) | 0.0220 (7) | 0.0062 (8) | −0.0007 (7) | 0.0018 (7) |
| O5 | 0.0226 (9) | 0.124 (2) | 0.0551 (12) | −0.0031 (13) | −0.0015 (9) | 0.0512 (14) |
| N1 | 0.0415 (15) | 0.081 (2) | 0.0462 (14) | 0.0060 (15) | −0.0110 (12) | 0.0057 (14) |
| C1 | 0.059 (2) | 0.066 (2) | 0.063 (2) | −0.0061 (19) | −0.0203 (18) | 0.0057 (19) |
| C2 | 0.079 (3) | 0.0510 (19) | 0.0535 (18) | −0.007 (2) | 0.0002 (18) | −0.0089 (17) |
| C3 | 0.0546 (17) | 0.0342 (13) | 0.0406 (14) | −0.0057 (14) | −0.0144 (13) | 0.0024 (13) |
| C4 | 0.0439 (16) | 0.0384 (14) | 0.0300 (12) | −0.0039 (13) | −0.0055 (12) | 0.0061 (11) |
| C5 | 0.0659 (19) | 0.0307 (12) | 0.0270 (12) | −0.0002 (14) | −0.0048 (13) | 0.0051 (11) |
| C6 | 0.0648 (19) | 0.0347 (13) | 0.0242 (12) | −0.0046 (14) | −0.0021 (13) | −0.0011 (11) |
| C7 | 0.0490 (16) | 0.0368 (13) | 0.0240 (11) | −0.0020 (12) | 0.0003 (11) | −0.0044 (11) |
| C8 | 0.0476 (17) | 0.0554 (17) | 0.0281 (12) | −0.0031 (15) | −0.0002 (12) | −0.0086 (12) |
| C9 | 0.0511 (16) | 0.0399 (13) | 0.0241 (11) | 0.0057 (14) | −0.0019 (11) | −0.0007 (11) |
| C10 | 0.067 (2) | 0.073 (2) | 0.0578 (19) | −0.024 (2) | −0.0022 (17) | −0.0117 (18) |
| C11 | 0.0468 (18) | 0.086 (3) | 0.0518 (17) | 0.0070 (19) | 0.0022 (15) | −0.0103 (18) |
| C12 | 0.0481 (16) | 0.0427 (14) | 0.0227 (11) | 0.0023 (13) | −0.0032 (11) | 0.0012 (11) |
| C13 | 0.0318 (13) | 0.0351 (12) | 0.0242 (11) | 0.0028 (11) | −0.0003 (10) | 0.0005 (10) |
| C14 | 0.0399 (16) | 0.0500 (16) | 0.0282 (12) | 0.0063 (14) | −0.0058 (11) | 0.0014 (12) |
| C15 | 0.0297 (13) | 0.0301 (11) | 0.0236 (10) | 0.0003 (10) | 0.0002 (9) | −0.0011 (9) |
| C16 | 0.0239 (12) | 0.0368 (12) | 0.0335 (12) | 0.0000 (11) | −0.0007 (10) | −0.0002 (11) |
| C17 | 0.0269 (13) | 0.0485 (15) | 0.0278 (12) | −0.0017 (12) | 0.0062 (10) | 0.0069 (11) |
| C18 | 0.0309 (13) | 0.0482 (15) | 0.0225 (11) | 0.0012 (12) | 0.0000 (10) | 0.0056 (11) |
| C19 | 0.0219 (12) | 0.0547 (16) | 0.0342 (12) | 0.0003 (12) | 0.0003 (10) | 0.0084 (13) |
| C20 | 0.0265 (13) | 0.0551 (16) | 0.0295 (12) | −0.0005 (12) | 0.0050 (10) | 0.0114 (12) |
| C21 | 0.0184 (12) | 0.073 (2) | 0.0368 (14) | 0.0001 (13) | 0.0015 (11) | 0.0218 (14) |
| C22 | 0.0356 (16) | 0.067 (2) | 0.0435 (15) | −0.0086 (15) | −0.0002 (13) | −0.0039 (15) |
| C23 | 0.0386 (16) | 0.0540 (18) | 0.070 (2) | 0.0045 (15) | 0.0009 (15) | 0.0117 (17) |
| C24 | 0.0356 (16) | 0.075 (2) | 0.0418 (16) | 0.0067 (16) | −0.0019 (13) | 0.0170 (16) |
| C25 | 0.0433 (17) | 0.079 (2) | 0.0344 (15) | 0.0005 (17) | 0.0020 (14) | −0.0077 (15) |
| C26 | 0.0361 (15) | 0.0515 (16) | 0.0627 (19) | 0.0066 (15) | 0.0088 (14) | 0.0013 (16) |
| F1—C1 | 1.315 (4) | C10—H10B | 0.9800 |
| F2—C1 | 1.322 (4) | C10—H10A | 0.9800 |
| F3—C1 | 1.332 (4) | C10—H10C | 0.9800 |
| F4—C2 | 1.322 (4) | C11—H11A | 0.9800 |
| F5—C2 | 1.321 (4) | C11—H11B | 0.9800 |
| F6—C2 | 1.326 (4) | C11—H11C | 0.9800 |
| O1—C4 | 1.381 (3) | C13—C14 | 1.474 (4) |
| O1—C3 | 1.416 (3) | C13—C15 | 1.514 (3) |
| O2—C4 | 1.190 (3) | C13—H13 | 1.0000 |
| O3—C12 | 1.197 (3) | C15—C16 | 1.380 (3) |
| O4—C12 | 1.362 (3) | C15—C20 | 1.383 (4) |
| O4—C13 | 1.437 (3) | C16—C17 | 1.385 (3) |
| O5—C19 | 1.380 (3) | C16—H16 | 0.9500 |
| O5—C21 | 1.397 (3) | C17—C18 | 1.377 (4) |
| N1—C14 | 1.134 (4) | C17—H17 | 0.9500 |
| C1—C3 | 1.501 (5) | C18—C19 | 1.374 (3) |
| C2—C3 | 1.500 (4) | C18—H18 | 0.9500 |
| C3—H3 | 1.0000 | C19—C20 | 1.383 (3) |
| C4—C5 | 1.453 (4) | C20—H20 | 0.9500 |
| C5—C6 | 1.329 (4) | C21—C22 | 1.359 (4) |
| C5—H5 | 0.9500 | C21—C26 | 1.370 (4) |
| C6—C7 | 1.457 (4) | C22—C23 | 1.382 (4) |
| C6—H6 | 0.9500 | C22—H22 | 0.9500 |
| C7—C8 | 1.509 (4) | C23—C24 | 1.357 (4) |
| C7—C9 | 1.539 (3) | C23—H23 | 0.9500 |
| C7—H7 | 1.0000 | C24—C25 | 1.352 (4) |
| C8—C10 | 1.509 (4) | C24—H24 | 0.9500 |
| C8—C9 | 1.510 (4) | C25—C26 | 1.392 (4) |
| C8—C11 | 1.512 (4) | C25—H25 | 0.9500 |
| C9—C12 | 1.466 (4) | C26—H26 | 0.9500 |
| C9—H9 | 1.0000 | ||
| C4—O1—C3 | 116.3 (2) | H10A—C10—H10C | 109.5 |
| C12—O4—C13 | 115.84 (19) | C8—C11—H11A | 109.5 |
| C19—O5—C21 | 117.8 (2) | C8—C11—H11B | 109.5 |
| F1—C1—F2 | 107.8 (3) | H11A—C11—H11B | 109.5 |
| F1—C1—F3 | 107.7 (3) | C8—C11—H11C | 109.5 |
| F2—C1—F3 | 107.2 (3) | H11A—C11—H11C | 109.5 |
| F1—C1—C3 | 110.8 (3) | H11B—C11—H11C | 109.5 |
| F2—C1—C3 | 112.7 (3) | O3—C12—O4 | 122.0 (2) |
| F3—C1—C3 | 110.5 (3) | O3—C12—C9 | 129.0 (2) |
| F5—C2—F4 | 108.0 (3) | O4—C12—C9 | 109.0 (2) |
| F5—C2—F6 | 108.0 (3) | O4—C13—C14 | 109.3 (2) |
| F4—C2—F6 | 106.4 (3) | O4—C13—C15 | 107.07 (18) |
| F5—C2—C3 | 111.6 (3) | C14—C13—C15 | 113.9 (2) |
| F4—C2—C3 | 113.0 (3) | O4—C13—H13 | 108.8 |
| F6—C2—C3 | 109.7 (3) | C14—C13—H13 | 108.8 |
| O1—C3—C2 | 108.6 (2) | C15—C13—H13 | 108.8 |
| O1—C3—C1 | 106.2 (3) | N1—C14—C13 | 178.9 (3) |
| C2—C3—C1 | 113.8 (3) | C16—C15—C20 | 120.2 (2) |
| O1—C3—H3 | 109.4 | C16—C15—C13 | 122.0 (2) |
| C2—C3—H3 | 109.4 | C20—C15—C13 | 117.8 (2) |
| C1—C3—H3 | 109.4 | C15—C16—C17 | 119.4 (2) |
| O2—C4—O1 | 121.2 (2) | C15—C16—H16 | 120.3 |
| O2—C4—C5 | 129.3 (2) | C17—C16—H16 | 120.3 |
| O1—C4—C5 | 109.5 (2) | C18—C17—C16 | 121.0 (2) |
| C6—C5—C4 | 124.1 (3) | C18—C17—H17 | 119.5 |
| C6—C5—H5 | 118.0 | C16—C17—H17 | 119.5 |
| C4—C5—H5 | 118.0 | C19—C18—C17 | 118.9 (2) |
| C5—C6—C7 | 126.4 (2) | C19—C18—H18 | 120.6 |
| C5—C6—H6 | 116.8 | C17—C18—H18 | 120.6 |
| C7—C6—H6 | 116.8 | C18—C19—O5 | 123.1 (2) |
| C6—C7—C8 | 122.4 (2) | C18—C19—C20 | 121.2 (2) |
| C6—C7—C9 | 121.1 (2) | O5—C19—C20 | 115.7 (2) |
| C8—C7—C9 | 59.36 (17) | C19—C20—C15 | 119.3 (2) |
| C6—C7—H7 | 114.4 | C19—C20—H20 | 120.3 |
| C8—C7—H7 | 114.4 | C15—C20—H20 | 120.3 |
| C9—C7—H7 | 114.4 | C22—C21—C26 | 121.0 (3) |
| C10—C8—C7 | 120.7 (3) | C22—C21—O5 | 120.2 (3) |
| C10—C8—C9 | 120.8 (3) | C26—C21—O5 | 118.7 (3) |
| C7—C8—C9 | 61.29 (18) | C21—C22—C23 | 119.5 (3) |
| C10—C8—C11 | 113.9 (3) | C21—C22—H22 | 120.2 |
| C7—C8—C11 | 115.8 (2) | C23—C22—H22 | 120.2 |
| C9—C8—C11 | 114.6 (3) | C24—C23—C22 | 120.1 (3) |
| C12—C9—C8 | 122.1 (2) | C24—C23—H23 | 119.9 |
| C12—C9—C7 | 121.0 (2) | C22—C23—H23 | 119.9 |
| C8—C9—C7 | 59.35 (17) | C25—C24—C23 | 120.3 (3) |
| C12—C9—H9 | 114.5 | C25—C24—H24 | 119.8 |
| C8—C9—H9 | 114.5 | C23—C24—H24 | 119.8 |
| C7—C9—H9 | 114.5 | C24—C25—C26 | 120.5 (3) |
| C8—C10—H10B | 109.5 | C24—C25—H25 | 119.7 |
| C8—C10—H10A | 109.5 | C26—C25—H25 | 119.7 |
| H10B—C10—H10A | 109.5 | C21—C26—C25 | 118.5 (3) |
| C8—C10—H10C | 109.5 | C21—C26—H26 | 120.7 |
| H10B—C10—H10C | 109.5 | C25—C26—H26 | 120.7 |
| C4—O1—C3—C2 | 109.0 (3) | C13—O4—C12—C9 | −176.9 (2) |
| C4—O1—C3—C1 | −128.2 (3) | C8—C9—C12—O3 | −46.8 (4) |
| F5—C2—C3—O1 | −178.4 (3) | C7—C9—C12—O3 | 24.2 (5) |
| F4—C2—C3—O1 | 59.8 (4) | C8—C9—C12—O4 | 132.7 (2) |
| F6—C2—C3—O1 | −58.8 (3) | C7—C9—C12—O4 | −156.3 (2) |
| F5—C2—C3—C1 | 63.5 (4) | C12—O4—C13—C14 | −79.2 (3) |
| F4—C2—C3—C1 | −58.3 (4) | C12—O4—C13—C15 | 157.0 (2) |
| F6—C2—C3—C1 | −176.8 (3) | O4—C13—C14—N1 | 73 (21) |
| F1—C1—C3—O1 | 62.5 (4) | C15—C13—C14—N1 | −167 (92) |
| F2—C1—C3—O1 | −58.3 (4) | O4—C13—C15—C16 | 124.6 (2) |
| F3—C1—C3—O1 | −178.3 (2) | C14—C13—C15—C16 | 3.7 (3) |
| F1—C1—C3—C2 | −178.1 (3) | O4—C13—C15—C20 | −57.2 (3) |
| F2—C1—C3—C2 | 61.1 (4) | C14—C13—C15—C20 | −178.1 (3) |
| F3—C1—C3—C2 | −58.8 (4) | C20—C15—C16—C17 | 1.3 (4) |
| C3—O1—C4—O2 | −1.1 (4) | C13—C15—C16—C17 | 179.5 (2) |
| C3—O1—C4—C5 | 178.0 (2) | C15—C16—C17—C18 | −0.2 (4) |
| O2—C4—C5—C6 | −15.1 (5) | C16—C17—C18—C19 | −1.4 (4) |
| O1—C4—C5—C6 | 166.0 (3) | C17—C18—C19—O5 | −177.1 (3) |
| C4—C5—C6—C7 | −3.8 (5) | C17—C18—C19—C20 | 1.9 (4) |
| C5—C6—C7—C8 | −157.7 (3) | C21—O5—C19—C18 | −8.8 (5) |
| C5—C6—C7—C9 | 131.1 (3) | C21—O5—C19—C20 | 172.2 (3) |
| C6—C7—C8—C10 | 1.1 (4) | C18—C19—C20—C15 | −0.8 (5) |
| C9—C7—C8—C10 | 110.8 (3) | O5—C19—C20—C15 | 178.3 (3) |
| C6—C7—C8—C9 | −109.6 (3) | C16—C15—C20—C19 | −0.9 (4) |
| C6—C7—C8—C11 | 145.2 (3) | C13—C15—C20—C19 | −179.1 (2) |
| C9—C7—C8—C11 | −105.2 (3) | C19—O5—C21—C22 | −78.7 (4) |
| C10—C8—C9—C12 | −1.0 (4) | C19—O5—C21—C26 | 105.6 (3) |
| C7—C8—C9—C12 | 109.6 (3) | C26—C21—C22—C23 | 0.5 (5) |
| C11—C8—C9—C12 | −143.3 (3) | O5—C21—C22—C23 | −175.0 (2) |
| C10—C8—C9—C7 | −110.5 (3) | C21—C22—C23—C24 | 0.3 (5) |
| C11—C8—C9—C7 | 107.2 (3) | C22—C23—C24—C25 | −0.9 (5) |
| C6—C7—C9—C12 | 0.3 (4) | C23—C24—C25—C26 | 0.6 (5) |
| C8—C7—C9—C12 | −111.4 (3) | C22—C21—C26—C25 | −0.8 (4) |
| C6—C7—C9—C8 | 111.7 (3) | O5—C21—C26—C25 | 174.8 (2) |
| C13—O4—C12—O3 | 2.7 (4) | C24—C25—C26—C21 | 0.2 (5) |
| Cg1 is the centroid of the C21–C26 phenyl ring. |
| H··· | ||||
| C26—H26···F3i | 0.95 | 2.45 | 3.200 (4) | 135. |
| C17—H17···Cg1ii | 0.95 | 2.51 | 3.421 (1) | 161. |
Hydrogen-bond geometry (Å, °)
Cg1 is the centroid of the C21–C26 phenyl ring.
| H⋯ | ||||
|---|---|---|---|---|
| C26—H26⋯F3i | 0.95 | 2.45 | 3.200 (4) | 135 |
| C17—H17⋯ | 0.95 | 2.51 | 3.421 (1) | 161 |
Symmetry codes: (i) ; (ii) .