| Literature DB >> 22606151 |
Noor Afshan Banu, V Bheema Raju.
Abstract
In the title compound, C(26)H(26)N(2)O(6)S, the benzene ring is positioned axially to the thia-zolopyrimidine ring and bis-ects it with a dihedral angle of 80.94 (7)°. The pyrimidine ring adopts a flattened boat conformation. In the crystal, pairs of bifurcated C-H⋯O hydrogen bonds link the mol-ecules into chains along the c axis.Entities:
Year: 2012 PMID: 22606151 PMCID: PMC3344148 DOI: 10.1107/S1600536812012354
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| C26H26N2O6S | |
| Monoclinic, | Mo |
| Hall symbol: -P 2yn | Cell parameters from 5055 reflections |
| θ = 2.2–27.0° | |
| µ = 0.19 mm−1 | |
| β = 94.465 (5)° | Block, yellow |
| 0.18 × 0.16 × 0.16 mm | |
| Bruker SMART APEX CCD detector diffractometer | 5055 independent reflections |
| Radiation source: fine-focus sealed tube | 3500 reflections with |
| Graphite monochromator | |
| ω scans | θmax = 27.0°, θmin = 2.2° |
| Absorption correction: multi-scan ( | |
| 13918 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 | |
| 5055 reflections | (Δ/σ)max = 0.001 |
| 321 parameters | Δρmax = 0.59 e Å−3 |
| 0 restraints | Δρmin = −0.38 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 |
| S1 | 0.73105 (9) | 0.14251 (3) | 0.58179 (4) | 0.02186 (19) | |
| O5 | −0.0478 (3) | 0.28751 (10) | 0.67802 (11) | 0.0280 (5) | |
| O2 | 1.1137 (2) | 0.27911 (9) | 0.35791 (11) | 0.0259 (5) | |
| O4 | 1.0502 (2) | 0.09339 (9) | 0.54509 (10) | 0.0250 (4) | |
| N1 | 0.4401 (3) | 0.16361 (12) | 0.65853 (12) | 0.0224 (5) | |
| O1 | 0.6191 (2) | 0.32009 (9) | 0.46396 (11) | 0.0252 (4) | |
| O6 | 0.0574 (2) | 0.36348 (10) | 0.58753 (12) | 0.0285 (5) | |
| N2 | 0.5119 (3) | 0.25231 (11) | 0.56348 (12) | 0.0209 (5) | |
| O3 | 1.5463 (3) | 0.08397 (10) | 0.39073 (11) | 0.0276 (5) | |
| C16 | 0.5164 (3) | 0.36754 (14) | 0.69908 (15) | 0.0218 (6) | |
| H16 | 0.5270 | 0.3219 | 0.7237 | 0.026* | |
| C11 | 0.4425 (3) | 0.37259 (14) | 0.62157 (15) | 0.0195 (6) | |
| C6 | 0.2376 (4) | 0.26532 (14) | 0.62849 (15) | 0.0220 (6) | |
| C10 | 0.0685 (4) | 0.30403 (14) | 0.63572 (16) | 0.0237 (6) | |
| C20 | 1.3047 (4) | 0.08844 (14) | 0.46749 (15) | 0.0221 (6) | |
| H20 | 1.3473 | 0.0459 | 0.4929 | 0.027* | |
| C9 | 0.5401 (4) | 0.18888 (13) | 0.60625 (15) | 0.0207 (6) | |
| C17 | 0.9132 (3) | 0.22160 (13) | 0.46628 (15) | 0.0201 (6) | |
| H17 | 0.8968 | 0.2644 | 0.4365 | 0.024* | |
| C7 | 0.2822 (4) | 0.20292 (14) | 0.66861 (15) | 0.0221 (6) | |
| C2 | 0.7777 (3) | 0.21079 (13) | 0.51239 (15) | 0.0209 (6) | |
| C5 | 0.3682 (3) | 0.30400 (13) | 0.57885 (16) | 0.0214 (6) | |
| H5 | 0.3062 | 0.3186 | 0.5284 | 0.026* | |
| C3 | 0.6336 (4) | 0.26750 (14) | 0.50774 (15) | 0.0218 (6) | |
| C18 | 1.0776 (3) | 0.18488 (13) | 0.45027 (15) | 0.0204 (6) | |
| C21 | 1.3967 (3) | 0.12094 (14) | 0.40848 (15) | 0.0220 (6) | |
| C8 | 0.1730 (4) | 0.16755 (15) | 0.72924 (16) | 0.0288 (7) | |
| H8A | 0.1686 | 0.1997 | 0.7739 | 0.043* | |
| H8B | 0.2265 | 0.1217 | 0.7460 | 0.043* | |
| H8C | 0.0544 | 0.1588 | 0.7063 | 0.043* | |
| C19 | 1.1482 (4) | 0.12100 (14) | 0.48744 (14) | 0.0206 (6) | |
| C15 | 0.5743 (4) | 0.43039 (14) | 0.73975 (16) | 0.0236 (6) | |
| H15 | 0.6251 | 0.4268 | 0.7913 | 0.028* | |
| C12 | 0.4283 (4) | 0.44127 (14) | 0.58605 (16) | 0.0242 (6) | |
| H12 | 0.3805 | 0.4452 | 0.5340 | 0.029* | |
| C22 | 1.3384 (3) | 0.18520 (14) | 0.37125 (15) | 0.0213 (6) | |
| H22 | 1.4033 | 0.2070 | 0.3331 | 0.026* | |
| C13 | 0.4841 (4) | 0.50407 (14) | 0.62696 (17) | 0.0261 (6) | |
| H13 | 0.4728 | 0.5499 | 0.6027 | 0.031* | |
| C23 | 1.1808 (4) | 0.21644 (13) | 0.39216 (15) | 0.0216 (6) | |
| C25 | 1.6375 (4) | 0.11104 (16) | 0.32485 (17) | 0.0328 (7) | |
| H25A | 1.5561 | 0.1127 | 0.2785 | 0.049* | |
| H25B | 1.7348 | 0.0789 | 0.3157 | 0.049* | |
| H25C | 1.6822 | 0.1596 | 0.3366 | 0.049* | |
| C14 | 0.5563 (4) | 0.49832 (14) | 0.70364 (16) | 0.0247 (6) | |
| H14 | 0.5934 | 0.5404 | 0.7313 | 0.030* | |
| C26 | 1.1201 (4) | 0.03154 (14) | 0.58899 (15) | 0.0255 (6) | |
| H26A | 1.1362 | −0.0087 | 0.5536 | 0.038* | |
| H26B | 1.0386 | 0.0173 | 0.6270 | 0.038* | |
| H26C | 1.2325 | 0.0444 | 0.6159 | 0.038* | |
| C24 | 1.2289 (4) | 0.32127 (14) | 0.31204 (16) | 0.0267 (6) | |
| H24A | 1.3356 | 0.3335 | 0.3440 | 0.040* | |
| H24B | 1.1695 | 0.3657 | 0.2942 | 0.040* | |
| H24C | 1.2587 | 0.2929 | 0.2672 | 0.040* | |
| C1 | −0.0260 (4) | 0.48913 (16) | 0.6104 (2) | 0.0390 (8) | |
| H1A | 0.0262 | 0.4898 | 0.6638 | 0.059* | |
| H1B | −0.1234 | 0.5233 | 0.6052 | 0.059* | |
| H1C | 0.0620 | 0.5030 | 0.5752 | 0.059* | |
| C4 | −0.0928 (4) | 0.41300 (15) | 0.59001 (19) | 0.0325 (7) | |
| H4A | −0.1703 | 0.3963 | 0.6294 | 0.039* | |
| H4B | −0.1606 | 0.4136 | 0.5390 | 0.039* |
| S1 | 0.0216 (4) | 0.0219 (4) | 0.0231 (4) | −0.0004 (3) | 0.0078 (3) | 0.0010 (3) |
| O5 | 0.0244 (11) | 0.0318 (11) | 0.0296 (11) | −0.0015 (9) | 0.0135 (9) | −0.0016 (8) |
| O2 | 0.0233 (11) | 0.0237 (10) | 0.0322 (11) | 0.0035 (8) | 0.0118 (8) | 0.0075 (8) |
| O4 | 0.0284 (11) | 0.0222 (10) | 0.0262 (10) | 0.0018 (8) | 0.0128 (8) | 0.0051 (7) |
| N1 | 0.0211 (13) | 0.0240 (11) | 0.0229 (12) | −0.0026 (10) | 0.0072 (10) | −0.0004 (9) |
| O1 | 0.0235 (11) | 0.0232 (10) | 0.0299 (11) | 0.0014 (8) | 0.0095 (8) | 0.0031 (8) |
| O6 | 0.0181 (10) | 0.0291 (10) | 0.0396 (12) | 0.0037 (8) | 0.0111 (9) | 0.0051 (8) |
| N2 | 0.0177 (12) | 0.0211 (11) | 0.0250 (12) | −0.0024 (9) | 0.0081 (9) | −0.0007 (9) |
| O3 | 0.0245 (11) | 0.0334 (11) | 0.0265 (10) | 0.0095 (9) | 0.0123 (8) | 0.0050 (8) |
| C16 | 0.0200 (14) | 0.0208 (13) | 0.0256 (14) | 0.0003 (11) | 0.0082 (11) | 0.0020 (10) |
| C11 | 0.0128 (13) | 0.0232 (13) | 0.0239 (14) | −0.0011 (10) | 0.0098 (11) | −0.0023 (10) |
| C6 | 0.0184 (14) | 0.0207 (13) | 0.0275 (14) | −0.0013 (11) | 0.0064 (11) | −0.0046 (11) |
| C10 | 0.0211 (15) | 0.0229 (14) | 0.0277 (15) | −0.0056 (11) | 0.0059 (12) | −0.0064 (11) |
| C20 | 0.0225 (15) | 0.0243 (13) | 0.0196 (13) | 0.0023 (11) | 0.0016 (11) | 0.0010 (10) |
| C9 | 0.0201 (14) | 0.0191 (13) | 0.0232 (14) | −0.0026 (11) | 0.0038 (11) | −0.0048 (10) |
| C17 | 0.0221 (15) | 0.0196 (13) | 0.0194 (13) | −0.0020 (11) | 0.0062 (11) | −0.0012 (10) |
| C7 | 0.0189 (14) | 0.0244 (14) | 0.0237 (14) | −0.0079 (11) | 0.0065 (11) | −0.0064 (11) |
| C2 | 0.0201 (14) | 0.0184 (13) | 0.0246 (14) | −0.0011 (11) | 0.0050 (11) | −0.0018 (10) |
| C5 | 0.0159 (14) | 0.0240 (13) | 0.0251 (14) | 0.0008 (11) | 0.0072 (11) | −0.0012 (11) |
| C3 | 0.0207 (15) | 0.0243 (14) | 0.0211 (14) | −0.0032 (11) | 0.0066 (11) | −0.0026 (11) |
| C18 | 0.0190 (14) | 0.0204 (13) | 0.0227 (14) | −0.0009 (11) | 0.0069 (11) | −0.0019 (10) |
| C21 | 0.0173 (14) | 0.0273 (14) | 0.0215 (13) | 0.0023 (11) | 0.0029 (11) | −0.0024 (11) |
| C8 | 0.0292 (17) | 0.0258 (14) | 0.0334 (16) | −0.0049 (12) | 0.0143 (13) | −0.0007 (12) |
| C19 | 0.0215 (14) | 0.0233 (13) | 0.0177 (13) | −0.0036 (11) | 0.0064 (11) | −0.0015 (10) |
| C15 | 0.0204 (14) | 0.0284 (14) | 0.0228 (14) | 0.0002 (12) | 0.0060 (11) | −0.0034 (11) |
| C12 | 0.0212 (15) | 0.0286 (14) | 0.0234 (14) | 0.0015 (11) | 0.0057 (11) | 0.0042 (11) |
| C22 | 0.0173 (14) | 0.0282 (14) | 0.0191 (13) | −0.0023 (11) | 0.0059 (11) | −0.0022 (10) |
| C13 | 0.0258 (16) | 0.0161 (13) | 0.0376 (17) | 0.0012 (11) | 0.0095 (13) | 0.0043 (11) |
| C23 | 0.0215 (15) | 0.0187 (13) | 0.0252 (14) | −0.0018 (11) | 0.0051 (11) | −0.0014 (10) |
| C25 | 0.0297 (17) | 0.0396 (17) | 0.0311 (16) | 0.0119 (14) | 0.0146 (13) | 0.0078 (13) |
| C14 | 0.0207 (15) | 0.0222 (14) | 0.0323 (15) | −0.0028 (11) | 0.0096 (12) | −0.0053 (11) |
| C26 | 0.0276 (16) | 0.0230 (14) | 0.0265 (15) | 0.0008 (12) | 0.0063 (12) | 0.0031 (11) |
| C24 | 0.0296 (16) | 0.0240 (14) | 0.0276 (15) | −0.0031 (12) | 0.0091 (13) | 0.0065 (11) |
| C1 | 0.0296 (18) | 0.0357 (17) | 0.053 (2) | 0.0054 (14) | 0.0103 (15) | 0.0013 (15) |
| C4 | 0.0186 (15) | 0.0355 (16) | 0.0447 (18) | 0.0046 (13) | 0.0103 (13) | 0.0040 (13) |
| S1—C9 | 1.745 (3) | C2—C3 | 1.495 (4) |
| S1—C2 | 1.765 (3) | C5—H5 | 0.9800 |
| O5—C10 | 1.213 (3) | C18—C19 | 1.406 (4) |
| O2—C23 | 1.359 (3) | C18—C23 | 1.423 (3) |
| O2—C24 | 1.433 (3) | C21—C22 | 1.383 (4) |
| O4—C19 | 1.367 (3) | C8—H8A | 0.9600 |
| O4—C26 | 1.427 (3) | C8—H8B | 0.9600 |
| N1—C9 | 1.292 (3) | C8—H8C | 0.9600 |
| N1—C7 | 1.410 (3) | C15—C14 | 1.381 (4) |
| O1—C3 | 1.211 (3) | C15—H15 | 0.9300 |
| O6—C10 | 1.354 (3) | C12—C13 | 1.385 (4) |
| O6—C4 | 1.449 (3) | C12—H12 | 0.9300 |
| N2—C9 | 1.370 (3) | C22—C23 | 1.387 (3) |
| N2—C3 | 1.395 (3) | C22—H22 | 0.9300 |
| N2—C5 | 1.473 (3) | C13—C14 | 1.375 (4) |
| O3—C21 | 1.367 (3) | C13—H13 | 0.9300 |
| O3—C25 | 1.443 (3) | C25—H25A | 0.9600 |
| C16—C15 | 1.387 (4) | C25—H25B | 0.9600 |
| C16—C11 | 1.391 (4) | C25—H25C | 0.9600 |
| C16—H16 | 0.9300 | C14—H14 | 0.9300 |
| C11—C12 | 1.387 (3) | C26—H26A | 0.9600 |
| C11—C5 | 1.527 (3) | C26—H26B | 0.9600 |
| C6—C7 | 1.352 (4) | C26—H26C | 0.9600 |
| C6—C10 | 1.469 (4) | C24—H24A | 0.9600 |
| C6—C5 | 1.517 (3) | C24—H24B | 0.9600 |
| C20—C19 | 1.385 (3) | C24—H24C | 0.9600 |
| C20—C21 | 1.393 (3) | C1—C4 | 1.504 (4) |
| C20—H20 | 0.9300 | C1—H1A | 0.9600 |
| C17—C2 | 1.348 (3) | C1—H1B | 0.9600 |
| C17—C18 | 1.451 (3) | C1—H1C | 0.9600 |
| C17—H17 | 0.9300 | C4—H4A | 0.9700 |
| C7—C8 | 1.511 (3) | C4—H4B | 0.9700 |
| C9—S1—C2 | 91.72 (12) | C7—C8—H8C | 109.5 |
| C23—O2—C24 | 117.4 (2) | H8A—C8—H8C | 109.5 |
| C19—O4—C26 | 117.7 (2) | H8B—C8—H8C | 109.5 |
| C9—N1—C7 | 116.5 (2) | O4—C19—C20 | 122.4 (2) |
| C10—O6—C4 | 119.3 (2) | O4—C19—C18 | 114.7 (2) |
| C9—N2—C3 | 116.3 (2) | C20—C19—C18 | 122.9 (2) |
| C9—N2—C5 | 121.9 (2) | C14—C15—C16 | 120.0 (3) |
| C3—N2—C5 | 121.7 (2) | C14—C15—H15 | 120.0 |
| C21—O3—C25 | 117.0 (2) | C16—C15—H15 | 120.0 |
| C15—C16—C11 | 120.2 (2) | C13—C12—C11 | 120.9 (3) |
| C15—C16—H16 | 119.9 | C13—C12—H12 | 119.5 |
| C11—C16—H16 | 119.9 | C11—C12—H12 | 119.5 |
| C12—C11—C16 | 118.8 (2) | C21—C22—C23 | 118.5 (2) |
| C12—C11—C5 | 121.0 (2) | C21—C22—H22 | 120.8 |
| C16—C11—C5 | 120.0 (2) | C23—C22—H22 | 120.8 |
| C7—C6—C10 | 122.9 (2) | C14—C13—C12 | 119.6 (2) |
| C7—C6—C5 | 121.5 (2) | C14—C13—H13 | 120.2 |
| C10—C6—C5 | 115.4 (2) | C12—C13—H13 | 120.2 |
| O5—C10—O6 | 122.8 (2) | O2—C23—C22 | 122.1 (2) |
| O5—C10—C6 | 127.0 (3) | O2—C23—C18 | 115.4 (2) |
| O6—C10—C6 | 110.2 (2) | C22—C23—C18 | 122.5 (2) |
| C19—C20—C21 | 118.4 (2) | O3—C25—H25A | 109.5 |
| C19—C20—H20 | 120.8 | O3—C25—H25B | 109.5 |
| C21—C20—H20 | 120.8 | H25A—C25—H25B | 109.5 |
| N1—C9—N2 | 126.0 (2) | O3—C25—H25C | 109.5 |
| N1—C9—S1 | 121.8 (2) | H25A—C25—H25C | 109.5 |
| N2—C9—S1 | 112.16 (18) | H25B—C25—H25C | 109.5 |
| C2—C17—C18 | 137.5 (2) | C13—C14—C15 | 120.4 (2) |
| C2—C17—H17 | 111.2 | C13—C14—H14 | 119.8 |
| C18—C17—H17 | 111.2 | C15—C14—H14 | 119.8 |
| C6—C7—N1 | 122.9 (2) | O4—C26—H26A | 109.5 |
| C6—C7—C8 | 124.9 (2) | O4—C26—H26B | 109.5 |
| N1—C7—C8 | 112.1 (2) | H26A—C26—H26B | 109.5 |
| C17—C2—C3 | 116.7 (2) | O4—C26—H26C | 109.5 |
| C17—C2—S1 | 133.6 (2) | H26A—C26—H26C | 109.5 |
| C3—C2—S1 | 109.77 (18) | H26B—C26—H26C | 109.5 |
| N2—C5—C6 | 108.7 (2) | O2—C24—H24A | 109.5 |
| N2—C5—C11 | 110.9 (2) | O2—C24—H24B | 109.5 |
| C6—C5—C11 | 110.2 (2) | H24A—C24—H24B | 109.5 |
| N2—C5—H5 | 109.0 | O2—C24—H24C | 109.5 |
| C6—C5—H5 | 109.0 | H24A—C24—H24C | 109.5 |
| C11—C5—H5 | 109.0 | H24B—C24—H24C | 109.5 |
| O1—C3—N2 | 122.7 (2) | C4—C1—H1A | 109.5 |
| O1—C3—C2 | 127.4 (2) | C4—C1—H1B | 109.5 |
| N2—C3—C2 | 109.9 (2) | H1A—C1—H1B | 109.5 |
| C19—C18—C23 | 115.8 (2) | C4—C1—H1C | 109.5 |
| C19—C18—C17 | 126.5 (2) | H1A—C1—H1C | 109.5 |
| C23—C18—C17 | 117.7 (2) | H1B—C1—H1C | 109.5 |
| O3—C21—C22 | 123.6 (2) | O6—C4—C1 | 109.3 (2) |
| O3—C21—C20 | 114.5 (2) | O6—C4—H4A | 109.8 |
| C22—C21—C20 | 121.9 (2) | C1—C4—H4A | 109.8 |
| C7—C8—H8A | 109.5 | O6—C4—H4B | 109.8 |
| C7—C8—H8B | 109.5 | C1—C4—H4B | 109.8 |
| H8A—C8—H8B | 109.5 | H4A—C4—H4B | 108.3 |
| C15—C16—C11—C12 | 0.1 (4) | C5—N2—C3—O1 | −6.9 (4) |
| C15—C16—C11—C5 | −176.1 (2) | C9—N2—C3—C2 | −3.8 (3) |
| C4—O6—C10—O5 | 4.6 (4) | C5—N2—C3—C2 | 172.4 (2) |
| C4—O6—C10—C6 | −175.1 (2) | C17—C2—C3—O1 | 4.5 (4) |
| C7—C6—C10—O5 | 1.9 (4) | S1—C2—C3—O1 | −176.6 (2) |
| C5—C6—C10—O5 | −172.4 (3) | C17—C2—C3—N2 | −174.8 (2) |
| C7—C6—C10—O6 | −178.4 (2) | S1—C2—C3—N2 | 4.1 (3) |
| C5—C6—C10—O6 | 7.3 (3) | C2—C17—C18—C19 | −3.3 (5) |
| C7—N1—C9—N2 | 4.1 (4) | C2—C17—C18—C23 | 177.7 (3) |
| C7—N1—C9—S1 | −175.11 (18) | C25—O3—C21—C22 | −5.5 (4) |
| C3—N2—C9—N1 | −177.5 (2) | C25—O3—C21—C20 | 174.1 (2) |
| C5—N2—C9—N1 | 6.3 (4) | C19—C20—C21—O3 | −178.0 (2) |
| C3—N2—C9—S1 | 1.8 (3) | C19—C20—C21—C22 | 1.7 (4) |
| C5—N2—C9—S1 | −174.44 (18) | C26—O4—C19—C20 | 4.1 (4) |
| C2—S1—C9—N1 | 180.0 (2) | C26—O4—C19—C18 | −175.8 (2) |
| C2—S1—C9—N2 | 0.7 (2) | C21—C20—C19—O4 | −179.4 (2) |
| C10—C6—C7—N1 | 176.5 (2) | C21—C20—C19—C18 | 0.6 (4) |
| C5—C6—C7—N1 | −9.6 (4) | C23—C18—C19—O4 | 177.6 (2) |
| C10—C6—C7—C8 | −4.2 (4) | C17—C18—C19—O4 | −1.4 (4) |
| C5—C6—C7—C8 | 169.8 (2) | C23—C18—C19—C20 | −2.4 (4) |
| C9—N1—C7—C6 | −2.2 (4) | C17—C18—C19—C20 | 178.6 (2) |
| C9—N1—C7—C8 | 178.3 (2) | C11—C16—C15—C14 | 0.9 (4) |
| C18—C17—C2—C3 | 179.5 (3) | C16—C11—C12—C13 | −0.8 (4) |
| C18—C17—C2—S1 | 0.9 (5) | C5—C11—C12—C13 | 175.3 (2) |
| C9—S1—C2—C17 | 175.9 (3) | O3—C21—C22—C23 | 177.6 (2) |
| C9—S1—C2—C3 | −2.7 (2) | C20—C21—C22—C23 | −1.9 (4) |
| C9—N2—C5—C6 | −15.9 (3) | C11—C12—C13—C14 | 0.6 (4) |
| C3—N2—C5—C6 | 168.1 (2) | C24—O2—C23—C22 | −13.5 (4) |
| C9—N2—C5—C11 | 105.4 (3) | C24—O2—C23—C18 | 167.1 (2) |
| C3—N2—C5—C11 | −70.6 (3) | C21—C22—C23—O2 | −179.4 (2) |
| C7—C6—C5—N2 | 17.4 (3) | C21—C22—C23—C18 | 0.0 (4) |
| C10—C6—C5—N2 | −168.2 (2) | C19—C18—C23—O2 | −178.5 (2) |
| C7—C6—C5—C11 | −104.3 (3) | C17—C18—C23—O2 | 0.6 (3) |
| C10—C6—C5—C11 | 70.0 (3) | C19—C18—C23—C22 | 2.0 (4) |
| C12—C11—C5—N2 | 115.6 (3) | C17—C18—C23—C22 | −178.8 (2) |
| C16—C11—C5—N2 | −68.3 (3) | C12—C13—C14—C15 | 0.3 (4) |
| C12—C11—C5—C6 | −123.9 (3) | C16—C15—C14—C13 | −1.1 (4) |
| C16—C11—C5—C6 | 52.1 (3) | C10—O6—C4—C1 | 121.5 (3) |
| C9—N2—C3—O1 | 176.8 (2) |
| H··· | ||||
| C24—H24 | 0.96 | 2.63 | 3.537 (3) | 158 |
| C25—H25 | 0.96 | 2.57 | 3.319 (3) | 135 |
Hydrogen-bond geometry (Å, °)
| H⋯ | ||||
|---|---|---|---|---|
| C24—H24 | 0.96 | 2.63 | 3.537 (3) | 158 |
| C25—H25 | 0.96 | 2.57 | 3.319 (3) | 135 |
Symmetry code: (i) .