| Literature DB >> 22219955 |
Augusto Rivera, Dency José Pacheco, Jaime Ríos-Motta, Michaela Pojarová, Michal Dušek.
Abstract
In the title compound, C(29)H(42)N(2)O(2), the heterocyclic ring has a twist conformation. The cyclohexane ring adopts a chair conformation. The dihedral angle between the aromatic rings is 32.74 (6)°. The mol-ecular conformation is stabilized by two intramolecular O-H⋯N hydrogen bonds with graph-set motif S(6). The crystal packing is stabilized by C-H⋯O and C-H⋯π inter-actions.Entities:
Year: 2011 PMID: 22219955 PMCID: PMC3247337 DOI: 10.1107/S1600536811039171
Source DB: PubMed Journal: Acta Crystallogr Sect E Struct Rep Online ISSN: 1600-5368
| C29H42N2O2 | |
| Triclinic, | |
| Hall symbol: -P 1 | Cu |
| Cell parameters from 9605 reflections | |
| θ = 3.0–67.2° | |
| µ = 0.55 mm−1 | |
| α = 105.942 (3)° | |
| β = 95.737 (3)° | Prism, colourless |
| γ = 98.041 (3)° | 0.22 × 0.10 × 0.08 mm |
| Agilent Xcalibur Atlas Gemini Ultra diffractometer | 4676 independent reflections |
| Radiation source: Enhance Ultra (Cu) X-ray Source | 3632 reflections with |
| mirror | |
| Detector resolution: 10.3784 pixels mm-1 | θmax = 67.3°, θmin = 3.0° |
| Rotation method data acquisition using ω scans | |
| Absorption correction: analytical ( | |
| 28373 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 | |
| 4676 reflections | (Δ/σ)max < 0.001 |
| 304 parameters | Δρmax = 0.21 e Å−3 |
| 2 restraints | Δρmin = −0.27 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 |
| O1 | 0.7423 (2) | 0.60526 (9) | 0.68014 (9) | 0.0334 (3) | |
| H1O1 | 0.6083 | 0.5598 | 0.6803 | 0.040* | |
| O2 | −0.2846 (2) | 0.45402 (10) | 0.80993 (9) | 0.0357 (3) | |
| H1O2 | −0.1676 | 0.4721 | 0.7865 | 0.043* | |
| N1 | 0.3185 (2) | 0.53749 (10) | 0.67034 (9) | 0.0253 (3) | |
| N2 | 0.1289 (2) | 0.48505 (10) | 0.77727 (9) | 0.0244 (3) | |
| C1 | 0.2544 (3) | 0.57266 (12) | 0.76055 (11) | 0.0266 (4) | |
| H1A | 0.3831 | 0.6001 | 0.8055 | 0.032* | |
| H1B | 0.1650 | 0.6235 | 0.7624 | 0.032* | |
| C2 | 0.1894 (3) | 0.39934 (12) | 0.71235 (11) | 0.0253 (4) | |
| H2 | 0.3379 | 0.3924 | 0.7336 | 0.030* | |
| C3 | 0.0424 (3) | 0.29864 (12) | 0.68838 (11) | 0.0306 (4) | |
| H3A | −0.1059 | 0.3035 | 0.6670 | 0.037* | |
| H3B | 0.0398 | 0.2748 | 0.7407 | 0.037* | |
| C4 | 0.1353 (4) | 0.22741 (14) | 0.61467 (13) | 0.0379 (4) | |
| H4A | 0.2772 | 0.2182 | 0.6392 | 0.045* | |
| H4B | 0.0393 | 0.1633 | 0.5958 | 0.045* | |
| C5 | 0.1597 (4) | 0.26467 (14) | 0.53294 (13) | 0.0403 (5) | |
| H5A | 0.0157 | 0.2649 | 0.5033 | 0.048* | |
| H5B | 0.2295 | 0.2195 | 0.4908 | 0.048* | |
| C6 | 0.2954 (3) | 0.36938 (14) | 0.55839 (12) | 0.0363 (4) | |
| H6A | 0.4458 | 0.3683 | 0.5803 | 0.044* | |
| H6B | 0.2942 | 0.3937 | 0.5062 | 0.044* | |
| C7 | 0.1961 (3) | 0.43638 (12) | 0.63083 (11) | 0.0280 (4) | |
| H7 | 0.0469 | 0.4394 | 0.6068 | 0.034* | |
| C8 | 0.2926 (3) | 0.60451 (12) | 0.61501 (11) | 0.0276 (4) | |
| H8A | 0.1475 | 0.6216 | 0.6156 | 0.033* | |
| H8B | 0.3069 | 0.5710 | 0.5534 | 0.033* | |
| C9 | 0.4626 (3) | 0.69832 (12) | 0.64956 (11) | 0.0255 (4) | |
| C10 | 0.6796 (3) | 0.69352 (12) | 0.67912 (11) | 0.0263 (4) | |
| C11 | 0.8342 (3) | 0.77961 (13) | 0.70752 (11) | 0.0299 (4) | |
| H11 | 0.9777 | 0.7768 | 0.7279 | 0.036* | |
| C12 | 0.7777 (3) | 0.87005 (13) | 0.70595 (11) | 0.0290 (4) | |
| H12 | 0.8842 | 0.9270 | 0.7254 | 0.035* | |
| C13 | 0.5642 (3) | 0.87735 (12) | 0.67573 (11) | 0.0268 (4) | |
| C14 | 0.4105 (3) | 0.78981 (12) | 0.64918 (11) | 0.0263 (4) | |
| H14 | 0.2662 | 0.7930 | 0.6303 | 0.032* | |
| C15 | 0.4973 (3) | 0.97661 (13) | 0.67471 (12) | 0.0323 (4) | |
| C16 | 0.4002 (4) | 1.01787 (15) | 0.76044 (15) | 0.0449 (5) | |
| H16A | 0.2771 | 0.9708 | 0.7636 | 0.058* | |
| H16B | 0.3534 | 1.0791 | 0.7597 | 0.058* | |
| H16C | 0.5090 | 1.0295 | 0.8118 | 0.058* | |
| C17 | 0.3244 (4) | 0.96239 (14) | 0.59319 (14) | 0.0426 (5) | |
| H17A | 0.1925 | 0.9222 | 0.5988 | 0.055* | |
| H17B | 0.3783 | 0.9302 | 0.5393 | 0.055* | |
| H17C | 0.2942 | 1.0259 | 0.5905 | 0.055* | |
| C18 | 0.6922 (4) | 1.05243 (15) | 0.67086 (17) | 0.0472 (5) | |
| H18A | 0.6425 | 1.1116 | 0.6653 | 0.061* | |
| H18B | 0.7620 | 1.0252 | 0.6200 | 0.061* | |
| H18C | 0.7948 | 1.0682 | 0.7249 | 0.061* | |
| C19 | 0.1725 (3) | 0.48777 (12) | 0.87265 (11) | 0.0260 (4) | |
| H19A | 0.1612 | 0.5529 | 0.9106 | 0.031* | |
| H19B | 0.3203 | 0.4765 | 0.8860 | 0.031* | |
| C20 | 0.0128 (3) | 0.41008 (12) | 0.89290 (11) | 0.0259 (4) | |
| C21 | −0.2101 (3) | 0.39674 (13) | 0.85995 (11) | 0.0288 (4) | |
| C22 | −0.3563 (3) | 0.32395 (13) | 0.87683 (12) | 0.0321 (4) | |
| H22 | −0.5041 | 0.3147 | 0.8546 | 0.039* | |
| C23 | −0.2838 (3) | 0.26467 (13) | 0.92669 (12) | 0.0299 (4) | |
| H23 | −0.3847 | 0.2161 | 0.9374 | 0.036* | |
| C24 | −0.0639 (3) | 0.27594 (12) | 0.96120 (11) | 0.0269 (4) | |
| C25 | 0.0807 (3) | 0.34982 (12) | 0.94307 (10) | 0.0256 (4) | |
| H25 | 0.2283 | 0.3592 | 0.9655 | 0.031* | |
| C26 | 0.0192 (3) | 0.20602 (13) | 1.01118 (11) | 0.0304 (4) | |
| C27 | −0.1570 (3) | 0.16459 (15) | 1.05918 (13) | 0.0388 (4) | |
| H27A | −0.2092 | 0.2185 | 1.0983 | 0.050* | |
| H27B | −0.0958 | 0.1260 | 1.0938 | 0.050* | |
| H27C | −0.2763 | 0.1233 | 1.0155 | 0.050* | |
| C28 | 0.0852 (4) | 0.11927 (15) | 0.94238 (13) | 0.0417 (5) | |
| H28A | 0.1450 | 0.0767 | 0.9729 | 0.054* | |
| H28B | 0.1930 | 0.1446 | 0.9109 | 0.054* | |
| H28C | −0.0413 | 0.0823 | 0.9004 | 0.054* | |
| C29 | 0.2192 (3) | 0.25932 (15) | 1.08137 (12) | 0.0367 (4) | |
| H29A | 0.1840 | 0.3173 | 1.1218 | 0.048* | |
| H29B | 0.3383 | 0.2785 | 1.0518 | 0.048* | |
| H29C | 0.2609 | 0.2155 | 1.1145 | 0.048* |
| O1 | 0.0310 (6) | 0.0344 (6) | 0.0392 (7) | 0.0074 (5) | 0.0080 (5) | 0.0162 (5) |
| O2 | 0.0280 (6) | 0.0433 (7) | 0.0428 (7) | 0.0066 (5) | 0.0077 (5) | 0.0232 (6) |
| N1 | 0.0319 (7) | 0.0244 (7) | 0.0210 (7) | 0.0028 (6) | 0.0063 (5) | 0.0091 (5) |
| N2 | 0.0295 (7) | 0.0236 (7) | 0.0192 (7) | 0.0032 (5) | 0.0046 (5) | 0.0053 (5) |
| C1 | 0.0319 (8) | 0.0250 (8) | 0.0217 (8) | 0.0031 (7) | 0.0061 (7) | 0.0050 (6) |
| C2 | 0.0320 (8) | 0.0243 (8) | 0.0193 (8) | 0.0048 (7) | 0.0053 (6) | 0.0052 (6) |
| C3 | 0.0390 (9) | 0.0276 (8) | 0.0239 (8) | −0.0001 (7) | 0.0072 (7) | 0.0071 (7) |
| C4 | 0.0531 (11) | 0.0270 (9) | 0.0314 (10) | 0.0018 (8) | 0.0096 (8) | 0.0062 (7) |
| C5 | 0.0603 (13) | 0.0302 (9) | 0.0262 (9) | 0.0008 (9) | 0.0121 (9) | 0.0029 (8) |
| C6 | 0.0512 (11) | 0.0321 (9) | 0.0246 (9) | 0.0017 (8) | 0.0127 (8) | 0.0071 (7) |
| C7 | 0.0340 (9) | 0.0264 (8) | 0.0224 (8) | 0.0006 (7) | 0.0044 (7) | 0.0072 (7) |
| C8 | 0.0319 (8) | 0.0285 (8) | 0.0230 (8) | 0.0009 (7) | 0.0025 (7) | 0.0112 (7) |
| C9 | 0.0285 (8) | 0.0294 (8) | 0.0191 (8) | 0.0017 (7) | 0.0063 (6) | 0.0086 (6) |
| C10 | 0.0293 (8) | 0.0320 (9) | 0.0215 (8) | 0.0063 (7) | 0.0099 (6) | 0.0113 (7) |
| C11 | 0.0262 (8) | 0.0398 (10) | 0.0240 (8) | 0.0024 (7) | 0.0056 (7) | 0.0110 (7) |
| C12 | 0.0304 (9) | 0.0311 (9) | 0.0224 (8) | −0.0026 (7) | 0.0055 (7) | 0.0059 (7) |
| C13 | 0.0311 (8) | 0.0289 (8) | 0.0200 (8) | 0.0016 (7) | 0.0074 (6) | 0.0069 (6) |
| C14 | 0.0273 (8) | 0.0308 (8) | 0.0228 (8) | 0.0032 (7) | 0.0059 (6) | 0.0113 (7) |
| C15 | 0.0366 (9) | 0.0272 (9) | 0.0319 (9) | 0.0033 (7) | 0.0080 (7) | 0.0068 (7) |
| C16 | 0.0506 (12) | 0.0362 (10) | 0.0434 (11) | 0.0067 (9) | 0.0140 (9) | 0.0024 (9) |
| C17 | 0.0557 (12) | 0.0296 (9) | 0.0424 (11) | 0.0083 (8) | −0.0004 (9) | 0.0126 (8) |
| C18 | 0.0463 (11) | 0.0354 (10) | 0.0626 (14) | 0.0005 (9) | 0.0120 (10) | 0.0208 (10) |
| C19 | 0.0285 (8) | 0.0285 (8) | 0.0193 (8) | 0.0031 (6) | 0.0047 (6) | 0.0047 (6) |
| C20 | 0.0308 (8) | 0.0280 (8) | 0.0179 (7) | 0.0050 (7) | 0.0072 (6) | 0.0039 (6) |
| C21 | 0.0299 (9) | 0.0331 (9) | 0.0246 (8) | 0.0082 (7) | 0.0072 (7) | 0.0081 (7) |
| C22 | 0.0273 (8) | 0.0365 (9) | 0.0331 (9) | 0.0044 (7) | 0.0074 (7) | 0.0106 (8) |
| C23 | 0.0312 (9) | 0.0297 (8) | 0.0278 (9) | 0.0002 (7) | 0.0100 (7) | 0.0075 (7) |
| C24 | 0.0348 (9) | 0.0275 (8) | 0.0173 (7) | 0.0040 (7) | 0.0078 (7) | 0.0043 (6) |
| C25 | 0.0285 (8) | 0.0300 (8) | 0.0169 (7) | 0.0032 (7) | 0.0056 (6) | 0.0045 (6) |
| C26 | 0.0394 (9) | 0.0300 (9) | 0.0222 (8) | 0.0043 (7) | 0.0071 (7) | 0.0083 (7) |
| C27 | 0.0463 (11) | 0.0394 (10) | 0.0343 (10) | 0.0032 (8) | 0.0105 (8) | 0.0170 (8) |
| C28 | 0.0588 (13) | 0.0361 (10) | 0.0316 (10) | 0.0154 (9) | 0.0094 (9) | 0.0077 (8) |
| C29 | 0.0451 (11) | 0.0405 (10) | 0.0261 (9) | 0.0045 (8) | 0.0028 (8) | 0.0147 (8) |
| O1—C10 | 1.370 (2) | C13—C15 | 1.531 (2) |
| O1—H1O1 | 0.9834 | C14—H14 | 0.9300 |
| O2—C21 | 1.370 (2) | C15—C18 | 1.526 (3) |
| O2—H1O2 | 0.8859 | C15—C16 | 1.530 (3) |
| N1—C7 | 1.465 (2) | C15—C17 | 1.534 (3) |
| N1—C8 | 1.468 (2) | C16—H16A | 0.9600 |
| N1—C1 | 1.478 (2) | C16—H16B | 0.9600 |
| N2—C1 | 1.477 (2) | C16—H16C | 0.9600 |
| N2—C2 | 1.479 (2) | C17—H17A | 0.9600 |
| N2—C19 | 1.479 (2) | C17—H17B | 0.9600 |
| C1—H1A | 0.9700 | C17—H17C | 0.9600 |
| C1—H1B | 0.9700 | C18—H18A | 0.9600 |
| C2—C7 | 1.510 (2) | C18—H18B | 0.9600 |
| C2—C3 | 1.518 (2) | C18—H18C | 0.9600 |
| C2—H2 | 0.9800 | C19—C20 | 1.504 (2) |
| C3—C4 | 1.533 (3) | C19—H19A | 0.9700 |
| C3—H3A | 0.9700 | C19—H19B | 0.9700 |
| C3—H3B | 0.9700 | C20—C25 | 1.391 (2) |
| C4—C5 | 1.526 (3) | C20—C21 | 1.402 (2) |
| C4—H4A | 0.9700 | C21—C22 | 1.382 (3) |
| C4—H4B | 0.9700 | C22—C23 | 1.387 (3) |
| C5—C6 | 1.533 (3) | C22—H22 | 0.9300 |
| C5—H5A | 0.9700 | C23—C24 | 1.393 (2) |
| C5—H5B | 0.9700 | C23—H23 | 0.9300 |
| C6—C7 | 1.514 (3) | C24—C25 | 1.396 (2) |
| C6—H6A | 0.9700 | C24—C26 | 1.537 (2) |
| C6—H6B | 0.9700 | C25—H25 | 0.9300 |
| C7—H7 | 0.9800 | C26—C29 | 1.531 (3) |
| C8—C9 | 1.514 (2) | C26—C27 | 1.532 (3) |
| C8—H8A | 0.9700 | C26—C28 | 1.534 (3) |
| C8—H8B | 0.9700 | C27—H27A | 0.9600 |
| C9—C14 | 1.387 (2) | C27—H27B | 0.9600 |
| C9—C10 | 1.404 (2) | C27—H27C | 0.9600 |
| C10—C11 | 1.383 (3) | C28—H28A | 0.9600 |
| C11—C12 | 1.387 (3) | C28—H28B | 0.9600 |
| C11—H11 | 0.9300 | C28—H28C | 0.9600 |
| C12—C13 | 1.396 (2) | C29—H29A | 0.9600 |
| C12—H12 | 0.9300 | C29—H29B | 0.9600 |
| C13—C14 | 1.395 (2) | C29—H29C | 0.9600 |
| C10—O1—H1O1 | 106.4 | C13—C14—H14 | 118.4 |
| C21—O2—H1O2 | 102.7 | C18—C15—C16 | 108.66 (16) |
| C7—N1—C8 | 114.76 (13) | C18—C15—C13 | 111.78 (15) |
| C7—N1—C1 | 105.78 (13) | C16—C15—C13 | 108.71 (15) |
| C8—N1—C1 | 113.91 (13) | C18—C15—C17 | 108.22 (16) |
| C1—N2—C2 | 104.36 (12) | C16—C15—C17 | 108.85 (17) |
| C1—N2—C19 | 111.45 (12) | C13—C15—C17 | 110.56 (14) |
| C2—N2—C19 | 115.31 (12) | C15—C16—H16A | 109.5 |
| N2—C1—N1 | 106.28 (12) | C15—C16—H16B | 109.5 |
| N2—C1—H1A | 110.5 | H16A—C16—H16B | 109.5 |
| N1—C1—H1A | 110.5 | C15—C16—H16C | 109.5 |
| N2—C1—H1B | 110.5 | H16A—C16—H16C | 109.5 |
| N1—C1—H1B | 110.5 | H16B—C16—H16C | 109.5 |
| H1A—C1—H1B | 108.7 | C15—C17—H17A | 109.5 |
| N2—C2—C7 | 100.86 (12) | C15—C17—H17B | 109.5 |
| N2—C2—C3 | 119.27 (14) | H17A—C17—H17B | 109.5 |
| C7—C2—C3 | 110.48 (13) | C15—C17—H17C | 109.5 |
| N2—C2—H2 | 108.6 | H17A—C17—H17C | 109.5 |
| C7—C2—H2 | 108.6 | H17B—C17—H17C | 109.5 |
| C3—C2—H2 | 108.6 | C15—C18—H18A | 109.5 |
| C2—C3—C4 | 107.44 (15) | C15—C18—H18B | 109.5 |
| C2—C3—H3A | 110.2 | H18A—C18—H18B | 109.5 |
| C4—C3—H3A | 110.2 | C15—C18—H18C | 109.5 |
| C2—C3—H3B | 110.2 | H18A—C18—H18C | 109.5 |
| C4—C3—H3B | 110.2 | H18B—C18—H18C | 109.5 |
| H3A—C3—H3B | 108.5 | N2—C19—C20 | 110.98 (13) |
| C5—C4—C3 | 112.87 (16) | N2—C19—H19A | 109.4 |
| C5—C4—H4A | 109.0 | C20—C19—H19A | 109.4 |
| C3—C4—H4A | 109.0 | N2—C19—H19B | 109.4 |
| C5—C4—H4B | 109.0 | C20—C19—H19B | 109.4 |
| C3—C4—H4B | 109.0 | H19A—C19—H19B | 108.0 |
| H4A—C4—H4B | 107.8 | C25—C20—C21 | 118.67 (16) |
| C4—C5—C6 | 112.16 (15) | C25—C20—C19 | 121.69 (15) |
| C4—C5—H5A | 109.2 | C21—C20—C19 | 119.64 (15) |
| C6—C5—H5A | 109.2 | O2—C21—C22 | 119.48 (15) |
| C4—C5—H5B | 109.2 | O2—C21—C20 | 120.80 (15) |
| C6—C5—H5B | 109.2 | C22—C21—C20 | 119.71 (16) |
| H5A—C5—H5B | 107.9 | C21—C22—C23 | 120.34 (16) |
| C7—C6—C5 | 108.19 (16) | C21—C22—H22 | 119.8 |
| C7—C6—H6A | 110.1 | C23—C22—H22 | 119.8 |
| C5—C6—H6A | 110.1 | C22—C23—C24 | 121.78 (16) |
| C7—C6—H6B | 110.1 | C22—C23—H23 | 119.1 |
| C5—C6—H6B | 110.1 | C24—C23—H23 | 119.1 |
| H6A—C6—H6B | 108.4 | C23—C24—C25 | 116.80 (15) |
| N1—C7—C2 | 101.63 (13) | C23—C24—C26 | 121.90 (15) |
| N1—C7—C6 | 115.78 (15) | C25—C24—C26 | 121.16 (15) |
| C2—C7—C6 | 111.66 (14) | C20—C25—C24 | 122.69 (16) |
| N1—C7—H7 | 109.1 | C20—C25—H25 | 118.7 |
| C2—C7—H7 | 109.1 | C24—C25—H25 | 118.7 |
| C6—C7—H7 | 109.1 | C29—C26—C27 | 108.02 (15) |
| N1—C8—C9 | 111.07 (13) | C29—C26—C28 | 108.58 (16) |
| N1—C8—H8A | 109.4 | C27—C26—C28 | 108.83 (16) |
| C9—C8—H8A | 109.4 | C29—C26—C24 | 111.28 (14) |
| N1—C8—H8B | 109.4 | C27—C26—C24 | 111.77 (15) |
| C9—C8—H8B | 109.4 | C28—C26—C24 | 108.30 (14) |
| H8A—C8—H8B | 108.0 | C26—C27—H27A | 109.5 |
| C14—C9—C10 | 118.58 (15) | C26—C27—H27B | 109.5 |
| C14—C9—C8 | 121.12 (15) | H27A—C27—H27B | 109.5 |
| C10—C9—C8 | 120.25 (15) | C26—C27—H27C | 109.5 |
| O1—C10—C11 | 119.16 (15) | H27A—C27—H27C | 109.5 |
| O1—C10—C9 | 121.45 (15) | H27B—C27—H27C | 109.5 |
| C11—C10—C9 | 119.38 (15) | C26—C28—H28A | 109.5 |
| C10—C11—C12 | 120.79 (16) | C26—C28—H28B | 109.5 |
| C10—C11—H11 | 119.6 | H28A—C28—H28B | 109.5 |
| C12—C11—H11 | 119.6 | C26—C28—H28C | 109.5 |
| C11—C12—C13 | 121.37 (15) | H28A—C28—H28C | 109.5 |
| C11—C12—H12 | 119.3 | H28B—C28—H28C | 109.5 |
| C13—C12—H12 | 119.3 | C26—C29—H29A | 109.5 |
| C14—C13—C12 | 116.71 (15) | C26—C29—H29B | 109.5 |
| C14—C13—C15 | 120.97 (15) | H29A—C29—H29B | 109.5 |
| C12—C13—C15 | 122.28 (15) | C26—C29—H29C | 109.5 |
| C9—C14—C13 | 123.14 (16) | H29A—C29—H29C | 109.5 |
| C9—C14—H14 | 118.4 | H29B—C29—H29C | 109.5 |
| H··· | ||||
| O1—H1O1···N1 | 0.98 | 1.77 | 2.6585 (18) | 148 |
| O2—H1O2···N2 | 0.89 | 1.86 | 2.6794 (18) | 153 |
| C2—H2···O2i | 0.98 | 2.45 | 3.367 (18) | 155 |
| C5—H5B···Cg3ii | 0.96 | 2.87 | 3.625 (2) | 135 |
| C19—H19A···Cg4iii | 0.96 | 2.84 | 3.6722 (18) | 144 |
Hydrogen-bond geometry (Å, °)
Cg3 and Cg4 are the centroids of the C9–C14 and C20–C25 benzene rings, respectively.
| H⋯ | ||||
|---|---|---|---|---|
| O1—H1 | 0.98 | 1.77 | 2.6585 (18) | 148 |
| O2—H1 | 0.89 | 1.86 | 2.6794 (18) | 153 |
| C2—H2⋯O2i | 0.98 | 2.45 | 3.367 (18) | 155 |
| C5—H5 | 0.96 | 2.87 | 3.625 (2) | 135 |
| C19—H19 | 0.96 | 2.84 | 3.6722 (18) | 144 |
Symmetry codes: (i) ; (ii) ; (iii) .