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Isomer (I) of the title compound, C
30H
24O
2, has been obtained as yellow plate-like crystals. The dihydrobiindene skeleton is approximately planar, and there are two phenyl substituents on the same side of the skeleton plane. The molecules are connected
via an O—H
O hydrogen bond, forming spiral chains along the
b axis.
Supporting information
CCDC reference: 253003
Key indicators
- Single-crystal X-ray study
- T = 297 K
- Mean (C-C) = 0.004 Å
- R factor = 0.054
- wR factor = 0.167
- Data-to-parameter ratio = 17.6
checkCIF/PLATON results
No syntax errors found
Alert level C
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 48 Perc.
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ?
PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.58 Ratio
PLAT230_ALERT_2_C Hirshfeld Test Diff for O2 - C12 .. 5.10 su
PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors for C23
PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors for C29
PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors for C21
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
7 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
5 ALERT type 2 Indicator that the structure model may be wrong or deficient
1 ALERT type 3 Indicator that the structure quality may be low
1 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: WinAFC Diffractometer Control Software (Rigaku, 1999); cell refinement: WinAFC Diffractometer Control Software; data reduction: TEXSAN (Molecular Structure Corporation, 2001); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: TEXSAN.
Crystal data top
C30H24O2 | F(000) = 880 |
Mr = 416.52 | Dx = 1.245 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
a = 17.985 (3) Å | Cell parameters from 25 reflections |
b = 9.529 (3) Å | θ = 10.1–12.8° |
c = 13.154 (4) Å | µ = 0.08 mm−1 |
β = 99.63 (2)° | T = 297 K |
V = 2222.6 (10) Å3 | Plate, yellow |
Z = 4 | 0.5 × 0.3 × 0.1 mm |
Data collection top
Rigaku AFC7R diffractometer | Rint = 0.035 |
ω–2θ scans | θmax = 27.5° |
Absorption correction: integration (Coppens et al., 1965) | h = −8→23 |
Tmin = 0.974, Tmax = 0.993 | k = −12→4 |
6053 measured reflections | l = −17→17 |
5110 independent reflections | 3 standard reflections every 150 reflections |
2464 reflections with I > 2σ(I) | intensity decay: 0.5% |
Refinement top
Refinement on F2 | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.054 | w = 1/[σ2(Fo2) + (0.0731P)2 + 0.206P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.167 | (Δ/σ)max < 0.001 |
S = 1.01 | Δρmax = 0.28 e Å−3 |
5110 reflections | Δρmin = −0.21 e Å−3 |
290 parameters | |
Special details top
Refinement. Refinement using reflections with F2 > 0.0 σ(F2). The
weighted R-factor (wR), goodness of fit (S) and
R-factor (gt) are based on F, with F set to zero for
negative F. The threshold expression of F2 > 2.0
σ(F2) is used only for calculating R-factor (gt). |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
O1 | 0.7225 (1) | 0.0544 (2) | 0.3730 (1) | 0.0598 (5) | |
O2 | 0.6680 (1) | 0.5763 (2) | 0.2719 (1) | 0.0621 (5) | |
C3 | 0.6575 (1) | 0.1102 (2) | 0.3129 (2) | 0.0452 (6) | |
C4 | 0.6609 (1) | 0.2682 (2) | 0.2896 (2) | 0.0447 (5) | |
C5 | 0.6118 (1) | 0.2905 (2) | 0.1818 (2) | 0.0440 (5) | |
C6 | 0.6132 (1) | 0.1459 (2) | 0.1341 (2) | 0.0431 (5) | |
C7 | 0.6359 (1) | 0.0452 (2) | 0.2079 (2) | 0.0448 (6) | |
C8 | 0.6377 (1) | −0.0958 (2) | 0.1814 (2) | 0.0565 (7) | |
C9 | 0.6178 (2) | −0.1326 (3) | 0.0790 (2) | 0.0633 (8) | |
C10 | 0.5965 (2) | −0.0318 (3) | 0.0055 (2) | 0.0649 (8) | |
C11 | 0.5936 (1) | 0.1082 (3) | 0.0317 (2) | 0.0547 (6) | |
C12 | 0.6716 (1) | 0.5196 (2) | 0.3559 (2) | 0.0449 (5) | |
C13 | 0.6493 (1) | 0.3698 (2) | 0.3729 (2) | 0.0480 (6) | |
C14 | 0.6854 (1) | 0.3358 (2) | 0.4871 (2) | 0.0447 (5) | |
C15 | 0.7123 (1) | 0.4784 (2) | 0.5306 (2) | 0.0431 (5) | |
C16 | 0.7024 (1) | 0.5810 (2) | 0.4568 (2) | 0.0439 (5) | |
C17 | 0.7223 (2) | 0.7204 (3) | 0.4796 (2) | 0.0559 (7) | |
C18 | 0.7535 (2) | 0.7527 (3) | 0.5792 (2) | 0.0628 (7) | |
C19 | 0.7656 (2) | 0.6496 (3) | 0.6536 (2) | 0.0657 (8) | |
C20 | 0.7449 (2) | 0.5119 (3) | 0.6310 (2) | 0.0574 (7) | |
C21 | 0.5315 (1) | 0.3381 (2) | 0.1824 (2) | 0.0422 (5) | |
C22 | 0.5045 (2) | 0.4589 (3) | 0.1337 (3) | 0.0762 (9) | |
C23 | 0.4298 (2) | 0.4982 (4) | 0.1296 (3) | 0.109 (1) | |
C24 | 0.3821 (2) | 0.4193 (4) | 0.1755 (3) | 0.0844 (10) | |
C25 | 0.4076 (2) | 0.3017 (3) | 0.2251 (3) | 0.0725 (8) | |
C26 | 0.4813 (1) | 0.2603 (3) | 0.2279 (2) | 0.0625 (7) | |
C27 | 0.6304 (1) | 0.2658 (3) | 0.5471 (2) | 0.0469 (6) | |
C28 | 0.5741 (2) | 0.3407 (3) | 0.5812 (3) | 0.0771 (9) | |
C29 | 0.5224 (2) | 0.2750 (4) | 0.6328 (3) | 0.107 (1) | |
C30 | 0.5275 (2) | 0.1341 (5) | 0.6513 (3) | 0.106 (1) | |
C31 | 0.5828 (2) | 0.0586 (4) | 0.6179 (3) | 0.090 (1) | |
C32 | 0.6345 (2) | 0.1230 (3) | 0.5671 (2) | 0.0620 (7) | |
H1 | 0.7571 | 0.0545 | 0.3396 | 0.0598* | |
H3 | 0.6168 | 0.0957 | 0.3494 | 0.0542* | |
H4 | 0.7112 | 0.2841 | 0.2791 | 0.0536* | |
H5 | 0.6362 | 0.3554 | 0.1435 | 0.0527* | |
H8 | 0.6523 | −0.1653 | 0.2327 | 0.0678* | |
H9 | 0.6189 | −0.2284 | 0.0592 | 0.0760* | |
H10 | 0.5836 | −0.0587 | −0.0648 | 0.0778* | |
H11 | 0.5783 | 0.1772 | −0.0197 | 0.0656* | |
H13 | 0.5964 | 0.3720 | 0.3722 | 0.0576* | |
H14 | 0.7277 | 0.2762 | 0.4873 | 0.0536* | |
H17 | 0.7145 | 0.7908 | 0.4278 | 0.0671* | |
H18 | 0.7669 | 0.8470 | 0.5970 | 0.0754* | |
H19 | 0.7885 | 0.6736 | 0.7218 | 0.0789* | |
H20 | 0.7529 | 0.4417 | 0.6830 | 0.0688* | |
H22 | 0.5372 | 0.5166 | 0.1022 | 0.0915* | |
H23 | 0.4118 | 0.5816 | 0.0943 | 0.1305* | |
H24 | 0.3310 | 0.4472 | 0.1725 | 0.1013* | |
H25 | 0.3748 | 0.2467 | 0.2585 | 0.0869* | |
H26 | 0.4981 | 0.1755 | 0.2622 | 0.0750* | |
H28 | 0.5705 | 0.4390 | 0.5692 | 0.0926* | |
H29 | 0.4834 | 0.3281 | 0.6552 | 0.1279* | |
H30 | 0.4926 | 0.0890 | 0.6873 | 0.1267* | |
H31 | 0.5858 | −0.0397 | 0.6298 | 0.1084* | |
H32 | 0.6733 | 0.0689 | 0.5455 | 0.0744* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
O1 | 0.068 (1) | 0.050 (1) | 0.060 (1) | 0.0155 (9) | 0.0045 (9) | 0.0000 (9) |
O2 | 0.093 (1) | 0.0403 (9) | 0.053 (1) | −0.0017 (9) | 0.0114 (9) | 0.0077 (8) |
C3 | 0.055 (1) | 0.034 (1) | 0.049 (1) | 0.000 (1) | 0.012 (1) | 0.001 (1) |
C4 | 0.045 (1) | 0.036 (1) | 0.052 (1) | 0.0007 (10) | 0.005 (1) | −0.004 (1) |
C5 | 0.047 (1) | 0.039 (1) | 0.048 (1) | −0.005 (1) | 0.012 (1) | 0.002 (1) |
C6 | 0.036 (1) | 0.042 (1) | 0.053 (1) | −0.0039 (10) | 0.013 (1) | −0.007 (1) |
C7 | 0.043 (1) | 0.039 (1) | 0.054 (1) | −0.004 (1) | 0.015 (1) | −0.010 (1) |
C8 | 0.058 (2) | 0.039 (1) | 0.075 (2) | −0.003 (1) | 0.017 (1) | −0.009 (1) |
C9 | 0.057 (2) | 0.050 (2) | 0.085 (2) | −0.006 (1) | 0.017 (1) | −0.029 (2) |
C10 | 0.054 (2) | 0.077 (2) | 0.064 (2) | −0.012 (1) | 0.010 (1) | −0.033 (2) |
C11 | 0.047 (1) | 0.065 (2) | 0.052 (2) | −0.004 (1) | 0.007 (1) | −0.008 (1) |
C12 | 0.047 (1) | 0.035 (1) | 0.053 (1) | 0.003 (1) | 0.009 (1) | −0.002 (1) |
C13 | 0.063 (2) | 0.037 (1) | 0.045 (1) | −0.009 (1) | 0.013 (1) | −0.002 (1) |
C14 | 0.051 (1) | 0.037 (1) | 0.048 (1) | −0.003 (1) | 0.013 (1) | 0.000 (1) |
C15 | 0.043 (1) | 0.043 (1) | 0.047 (1) | −0.006 (1) | 0.014 (1) | −0.007 (1) |
C16 | 0.042 (1) | 0.036 (1) | 0.055 (1) | −0.0028 (10) | 0.010 (1) | −0.005 (1) |
C17 | 0.059 (2) | 0.038 (1) | 0.071 (2) | −0.003 (1) | 0.011 (1) | −0.005 (1) |
C18 | 0.061 (2) | 0.052 (2) | 0.076 (2) | −0.015 (1) | 0.013 (1) | −0.022 (2) |
C19 | 0.066 (2) | 0.075 (2) | 0.056 (2) | −0.011 (2) | 0.010 (1) | −0.025 (2) |
C20 | 0.063 (2) | 0.058 (2) | 0.052 (2) | −0.004 (1) | 0.013 (1) | −0.003 (1) |
C21 | 0.049 (1) | 0.036 (1) | 0.041 (1) | 0.004 (1) | 0.0048 (10) | 0.0005 (10) |
C22 | 0.072 (2) | 0.071 (2) | 0.091 (2) | 0.021 (2) | 0.030 (2) | 0.042 (2) |
C23 | 0.095 (3) | 0.096 (3) | 0.143 (3) | 0.050 (2) | 0.040 (2) | 0.071 (3) |
C24 | 0.070 (2) | 0.088 (2) | 0.099 (2) | 0.034 (2) | 0.025 (2) | 0.024 (2) |
C25 | 0.056 (2) | 0.070 (2) | 0.095 (2) | 0.007 (1) | 0.023 (2) | 0.016 (2) |
C26 | 0.051 (1) | 0.052 (2) | 0.086 (2) | 0.008 (1) | 0.015 (1) | 0.021 (1) |
C27 | 0.055 (1) | 0.045 (1) | 0.041 (1) | −0.006 (1) | 0.009 (1) | 0.001 (1) |
C28 | 0.073 (2) | 0.062 (2) | 0.106 (2) | −0.002 (2) | 0.043 (2) | 0.005 (2) |
C29 | 0.087 (2) | 0.101 (3) | 0.149 (4) | −0.015 (2) | 0.068 (3) | −0.006 (3) |
C30 | 0.116 (3) | 0.104 (3) | 0.109 (3) | −0.050 (3) | 0.055 (3) | 0.002 (2) |
C31 | 0.123 (3) | 0.067 (2) | 0.087 (2) | −0.026 (2) | 0.036 (2) | 0.016 (2) |
C32 | 0.083 (2) | 0.050 (2) | 0.055 (2) | −0.008 (1) | 0.017 (1) | 0.011 (1) |
Geometric parameters (Å, º) top
O1—C3 | 1.401 (3) | C16—C17 | 1.396 (3) |
O1—H1 | 0.820 | C17—C18 | 1.370 (4) |
O2—C12 | 1.222 (3) | C17—H17 | 0.950 |
C3—C4 | 1.541 (3) | C18—C19 | 1.379 (4) |
C3—C7 | 1.505 (3) | C18—H18 | 0.950 |
C3—H3 | 0.950 | C19—C20 | 1.382 (4) |
C4—C5 | 1.554 (3) | C19—H19 | 0.950 |
C4—C13 | 1.502 (3) | C20—H20 | 0.950 |
C4—H4 | 0.950 | C21—C22 | 1.366 (4) |
C5—C6 | 1.516 (3) | C21—C26 | 1.379 (4) |
C5—C21 | 1.516 (3) | C22—C23 | 1.386 (5) |
C5—H5 | 0.950 | C22—H22 | 0.950 |
C6—C7 | 1.376 (3) | C23—C24 | 1.357 (6) |
C6—C11 | 1.383 (3) | C23—H23 | 0.950 |
C7—C8 | 1.390 (3) | C24—C25 | 1.338 (5) |
C8—C9 | 1.381 (4) | C24—H24 | 0.950 |
C8—H8 | 0.950 | C25—C26 | 1.379 (4) |
C9—C10 | 1.371 (4) | C25—H25 | 0.950 |
C9—H9 | 0.950 | C26—H26 | 0.950 |
C10—C11 | 1.381 (4) | C27—C28 | 1.374 (4) |
C10—H10 | 0.950 | C27—C32 | 1.385 (4) |
C11—H11 | 0.950 | C28—C29 | 1.390 (6) |
C12—C13 | 1.509 (3) | C28—H28 | 0.950 |
C12—C16 | 1.470 (3) | C29—C30 | 1.365 (6) |
C13—C14 | 1.567 (3) | C29—H29 | 0.950 |
C13—H13 | 0.950 | C30—C31 | 1.359 (6) |
C14—C15 | 1.522 (3) | C30—H30 | 0.950 |
C14—C27 | 1.518 (4) | C31—C32 | 1.376 (5) |
C14—H14 | 0.950 | C31—H31 | 0.950 |
C15—C16 | 1.369 (3) | C32—H32 | 0.950 |
C15—C20 | 1.390 (3) | | |
| | | |
C3—O1—H1 | 109.5 | C14—C15—C20 | 128.3 (2) |
O1—C3—C4 | 115.2 (2) | C16—C15—C20 | 119.6 (2) |
O1—C3—C7 | 115.1 (2) | C12—C16—C15 | 109.9 (2) |
O1—C3—H3 | 107.5 | C12—C16—C17 | 128.1 (2) |
C4—C3—C7 | 103.4 (2) | C15—C16—C17 | 121.9 (2) |
C4—C3—H3 | 107.5 | C16—C17—C18 | 117.9 (2) |
C7—C3—H3 | 107.5 | C16—C17—H17 | 121.0 |
C3—C4—C5 | 106.3 (2) | C18—C17—H17 | 121.0 |
C3—C4—C13 | 118.0 (2) | C17—C18—C19 | 120.7 (3) |
C3—C4—H4 | 104.7 | C17—C18—H18 | 119.7 |
C5—C4—C13 | 116.9 (2) | C19—C18—H18 | 119.7 |
C5—C4—H4 | 104.7 | C18—C19—C20 | 121.2 (2) |
C13—C4—H4 | 104.7 | C18—C19—H19 | 119.4 |
C4—C5—C6 | 102.0 (2) | C20—C19—H19 | 119.4 |
C4—C5—C21 | 115.6 (2) | C15—C20—C19 | 118.6 (2) |
C4—C5—H5 | 109.4 | C15—C20—H20 | 120.7 |
C6—C5—C21 | 110.9 (2) | C19—C20—H20 | 120.7 |
C6—C5—H5 | 109.4 | C5—C21—C22 | 121.0 (2) |
C21—C5—H5 | 109.4 | C5—C21—C26 | 122.3 (2) |
C5—C6—C7 | 111.4 (2) | C22—C21—C26 | 116.7 (2) |
C5—C6—C11 | 128.3 (2) | C21—C22—C23 | 120.8 (3) |
C7—C6—C11 | 120.2 (2) | C21—C22—H22 | 119.6 |
C3—C7—C6 | 111.2 (2) | C23—C22—H22 | 119.6 |
C3—C7—C8 | 127.9 (2) | C22—C23—C24 | 121.0 (3) |
C6—C7—C8 | 120.9 (2) | C22—C23—H23 | 119.5 |
C7—C8—C9 | 118.5 (2) | C24—C23—H23 | 119.5 |
C7—C8—H8 | 120.8 | C23—C24—C25 | 119.3 (3) |
C9—C8—H8 | 120.8 | C23—C24—H24 | 120.3 |
C8—C9—C10 | 120.4 (3) | C25—C24—H24 | 120.3 |
C8—C9—H9 | 119.8 | C24—C25—C26 | 120.2 (3) |
C10—C9—H9 | 119.8 | C24—C25—H25 | 119.9 |
C9—C10—C11 | 121.3 (3) | C26—C25—H25 | 119.9 |
C9—C10—H10 | 119.4 | C21—C26—C25 | 122.1 (3) |
C11—C10—H10 | 119.4 | C21—C26—H26 | 119.0 |
C6—C11—C10 | 118.7 (2) | C25—C26—H26 | 119.0 |
C6—C11—H11 | 120.7 | C14—C27—C28 | 121.4 (2) |
C10—C11—H11 | 120.7 | C14—C27—C32 | 120.8 (2) |
O2—C12—C13 | 125.2 (2) | C28—C27—C32 | 117.8 (3) |
O2—C12—C16 | 126.5 (2) | C27—C28—C29 | 121.0 (3) |
C13—C12—C16 | 108.2 (2) | C27—C28—H28 | 119.5 |
C4—C13—C12 | 115.4 (2) | C29—C28—H28 | 119.5 |
C4—C13—C14 | 118.8 (2) | C28—C29—C30 | 120.0 (4) |
C4—C13—H13 | 105.5 | C28—C29—H29 | 120.0 |
C12—C13—C14 | 105.1 (2) | C30—C29—H29 | 120.0 |
C12—C13—H13 | 105.5 | C29—C30—C31 | 119.6 (4) |
C14—C13—H13 | 105.5 | C29—C30—H30 | 120.2 |
C13—C14—C15 | 103.3 (2) | C31—C30—H30 | 120.2 |
C13—C14—C27 | 112.8 (2) | C30—C31—C32 | 120.8 (3) |
C13—C14—H14 | 109.2 | C30—C31—H31 | 119.6 |
C15—C14—C27 | 113.0 (2) | C32—C31—H31 | 119.6 |
C15—C14—H14 | 109.2 | C27—C32—C31 | 120.8 (3) |
C27—C14—H14 | 109.2 | C27—C32—H32 | 119.6 |
C14—C15—C16 | 112.1 (2) | C31—C32—H32 | 119.6 |
| | | |
O1—C3—C4—C5 | 148.4 (2) | C11—C6—C5—C21 | 72.0 (3) |
O1—C3—C4—C13 | −78.2 (3) | C12—C13—C14—C15 | 10.4 (2) |
O1—C3—C7—C6 | −138.2 (2) | C12—C13—C14—C27 | 132.7 (2) |
O1—C3—C7—C8 | 41.1 (4) | C12—C16—C15—C14 | −2.6 (3) |
O2—C12—C13—C4 | 31.5 (3) | C12—C16—C15—C20 | 176.3 (2) |
O2—C12—C13—C14 | 164.3 (2) | C12—C16—C17—C18 | −176.9 (2) |
O2—C12—C16—C15 | −166.9 (2) | C13—C4—C5—C21 | −37.3 (3) |
O2—C12—C16—C17 | 11.1 (4) | C13—C12—C16—C15 | 9.7 (3) |
C3—C4—C5—C6 | −23.6 (2) | C13—C12—C16—C17 | −172.4 (2) |
C3—C4—C5—C21 | 96.8 (2) | C13—C14—C15—C16 | −5.1 (3) |
C3—C4—C13—C12 | 165.8 (2) | C13—C14—C15—C20 | 176.1 (2) |
C3—C4—C13—C14 | 39.7 (3) | C13—C14—C27—C28 | −74.8 (3) |
C3—C7—C6—C5 | −3.8 (3) | C13—C14—C27—C32 | 103.6 (2) |
C3—C7—C6—C11 | 177.7 (2) | C14—C13—C12—C16 | −12.3 (3) |
C3—C7—C8—C9 | −177.7 (3) | C14—C15—C16—C17 | 179.2 (2) |
C4—C3—C7—C6 | −11.6 (3) | C14—C15—C20—C19 | 179.7 (2) |
C4—C3—C7—C8 | 167.6 (2) | C14—C27—C28—C29 | 177.7 (3) |
C4—C5—C6—C7 | 17.2 (3) | C14—C27—C32—C31 | −177.4 (2) |
C4—C5—C6—C11 | −164.4 (2) | C15—C14—C27—C28 | 41.9 (3) |
C4—C5—C21—C22 | 123.2 (3) | C15—C14—C27—C32 | −139.6 (2) |
C4—C5—C21—C26 | −59.4 (3) | C15—C16—C17—C18 | 0.9 (4) |
C4—C13—C12—C16 | −145.1 (2) | C15—C20—C19—C18 | 0.8 (4) |
C4—C13—C14—C15 | 141.2 (2) | C16—C15—C14—C27 | −127.3 (2) |
C4—C13—C14—C27 | −96.5 (3) | C16—C15—C20—C19 | 1.0 (4) |
C5—C4—C3—C7 | 21.8 (2) | C16—C17—C18—C19 | 0.9 (4) |
C5—C4—C13—C12 | −65.6 (3) | C17—C16—C15—C20 | −1.8 (4) |
C5—C4—C13—C14 | 168.4 (2) | C17—C18—C19—C20 | −1.7 (5) |
C5—C6—C7—C8 | 176.9 (2) | C20—C15—C14—C27 | 53.8 (3) |
C5—C6—C11—C10 | −177.7 (2) | C21—C22—C23—C24 | 1.2 (5) |
C5—C21—C22—C23 | 176.5 (3) | C21—C26—C25—C24 | 1.3 (5) |
C5—C21—C26—C25 | −177.7 (2) | C22—C21—C26—C25 | −0.3 (4) |
C6—C5—C4—C13 | −157.7 (2) | C22—C23—C24—C25 | −0.1 (6) |
C6—C5—C21—C22 | −121.4 (3) | C23—C22—C21—C26 | −1.0 (4) |
C6—C5—C21—C26 | 55.9 (3) | C23—C24—C25—C26 | −1.1 (5) |
C6—C7—C8—C9 | 1.4 (4) | C27—C28—C29—C30 | 0.7 (5) |
C6—C11—C10—C9 | 0.6 (4) | C27—C32—C31—C30 | −1.2 (5) |
C7—C3—C4—C13 | 155.3 (2) | C28—C27—C32—C31 | 1.1 (4) |
C7—C6—C5—C21 | −106.4 (2) | C28—C29—C30—C31 | −0.8 (6) |
C7—C6—C11—C10 | 0.6 (4) | C29—C28—C27—C32 | −0.8 (4) |
C7—C8—C9—C10 | −0.3 (4) | C29—C30—C31—C32 | 1.1 (6) |
C8—C7—C6—C11 | −1.6 (4) | C29—C30—C31—C32 | 1.1 (6) |
C8—C9—C10—C11 | −0.7 (4) | | |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O1—H1···O2i | 0.82 | 2.16 | 2.969 (3) | 168 |
Symmetry code: (i) −x+3/2, y−1/2, −z+1/2. |
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