Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680602410X/hk2067sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S160053680602410X/hk2067Isup2.hkl |
CCDC reference: 613731
Key indicators
- Single-crystal X-ray study
- T = 315 K
- Mean (C-C) = 0.009 Å
- Disorder in solvent or counterion
- R factor = 0.086
- wR factor = 0.229
- Data-to-parameter ratio = 15.2
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 46 Perc. PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 0.50 Ratio PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.66 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.52 Ratio PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C1 PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 50.00 Perc. PLAT331_ALERT_2_C Small Average Phenyl C-C Dist. C1 -C6 1.36 Ang. PLAT331_ALERT_2_C Small Average Phenyl C-C Dist. C17 -C22 1.36 Ang. PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 9 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C22 H12 Cl2 O4
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 13 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 4 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 2 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: CAD-4 Software (Enraf–Nonius, 1985); cell refinement: CAD-4 Software; data reduction: XCAD4 (Harms & Wocadlo, 1995); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2000); software used to prepare material for publication: SHELXTL.
C22H12Cl4O8·0.25C6H12 | F(000) = 1776 |
Mr = 432.26 | Dx = 1.321 Mg m−3 |
Orthorhombic, Pbca | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ac 2ab | Cell parameters from 25 reflections |
a = 10.817 (2) Å | θ = 9–12° |
b = 13.679 (3) Å | µ = 0.33 mm−1 |
c = 29.370 (6) Å | T = 315 K |
V = 4345.8 (15) Å3 | Block, colourless |
Z = 8 | 0.30 × 0.20 × 0.20 mm |
Enraf–Nonius CAD-4 diffractometer | 1954 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.000 |
Graphite monochromator | θmax = 26.0°, θmin = 1.4° |
ω/2θ scans | h = 0→13 |
Absorption correction: ψ scan (North et al., 1968) | k = 0→16 |
Tmin = 0.909, Tmax = 0.938 | l = 0→36 |
4254 measured reflections | 3 standard reflections every 120 min |
4254 independent reflections | intensity decay: none |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.086 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.229 | H-atom parameters constrained |
S = 1.11 | w = 1/[σ2(Fo2) + (0.07P)2 + 6P] where P = (Fo2 + 2Fc2)/3 |
4254 reflections | (Δ/σ)max = 0.007 |
280 parameters | Δρmax = 0.78 e Å−3 |
21 restraints | Δρmin = −0.29 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 F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Cl1 | 0.22613 (15) | 0.23586 (15) | 0.10989 (6) | 0.0747 (6) | |
Cl2 | −0.25046 (17) | 0.16080 (14) | 0.27214 (5) | 0.0679 (5) | |
O1 | 0.1629 (4) | 0.0509 (3) | 0.10193 (14) | 0.0560 (12) | |
O2 | 0.1269 (4) | −0.0714 (3) | 0.15031 (16) | 0.0617 (12) | |
O3 | −0.3138 (5) | 0.3540 (3) | 0.15162 (17) | 0.0746 (14) | |
O4 | −0.3551 (4) | 0.2289 (3) | 0.19925 (14) | 0.0570 (11) | |
C1 | 0.1507 (8) | 0.1805 (7) | −0.0351 (3) | 0.099 (3) | |
H1A | 0.2125 | 0.1980 | −0.0555 | 0.119* | |
C2 | 0.0360 (8) | 0.1570 (6) | −0.0506 (3) | 0.081 (2) | |
H2A | 0.0179 | 0.1616 | −0.0815 | 0.097* | |
C3 | −0.0510 (7) | 0.1272 (6) | −0.0210 (3) | 0.083 (3) | |
H3A | −0.1280 | 0.1075 | −0.0317 | 0.100* | |
C4 | −0.0270 (6) | 0.1258 (5) | 0.0241 (2) | 0.069 (2) | |
H4A | −0.0888 | 0.1061 | 0.0441 | 0.082* | |
C5 | 0.0879 (5) | 0.1531 (5) | 0.04154 (19) | 0.0534 (17) | |
C6 | 0.1749 (7) | 0.1785 (6) | 0.0104 (2) | 0.080 (2) | |
H6A | 0.2537 | 0.1950 | 0.0205 | 0.096* | |
C7 | 0.1137 (5) | 0.1452 (5) | 0.0918 (2) | 0.0528 (16) | |
C8 | 0.0985 (5) | 0.0083 (5) | 0.1362 (2) | 0.0489 (15) | |
C9 | −0.0049 (5) | 0.0718 (4) | 0.1493 (2) | 0.0430 (14) | |
C10 | −0.0964 (5) | 0.0574 (4) | 0.18183 (19) | 0.0440 (15) | |
H10A | −0.0994 | 0.0022 | 0.2003 | 0.053* | |
C11 | −0.1831 (5) | 0.1321 (4) | 0.18459 (19) | 0.0396 (13) | |
C12 | −0.1759 (5) | 0.2144 (4) | 0.15759 (19) | 0.0418 (14) | |
C13 | −0.0836 (5) | 0.2310 (4) | 0.1260 (2) | 0.0480 (15) | |
H13A | −0.0795 | 0.2877 | 0.1086 | 0.058* | |
C14 | 0.0028 (5) | 0.1557 (4) | 0.12231 (18) | 0.0425 (14) | |
C15 | −0.2840 (6) | 0.2767 (5) | 0.1676 (2) | 0.0533 (17) | |
C16 | −0.2980 (5) | 0.1394 (5) | 0.2140 (2) | 0.0492 (16) | |
C17 | −0.3871 (5) | 0.0558 (5) | 0.2105 (2) | 0.0502 (16) | |
C18 | −0.4784 (6) | 0.0568 (6) | 0.1783 (2) | 0.068 (2) | |
H18A | −0.4874 | 0.1114 | 0.1597 | 0.081* | |
C19 | −0.5570 (7) | −0.0212 (7) | 0.1728 (3) | 0.088 (3) | |
H19A | −0.6181 | −0.0197 | 0.1506 | 0.106* | |
C20 | −0.5445 (7) | −0.1000 (7) | 0.2001 (3) | 0.084 (3) | |
H20A | −0.5984 | −0.1525 | 0.1968 | 0.101* | |
C21 | −0.4546 (7) | −0.1038 (6) | 0.2321 (3) | 0.079 (2) | |
H21A | −0.4462 | −0.1585 | 0.2506 | 0.094* | |
C22 | −0.3759 (6) | −0.0255 (5) | 0.2367 (2) | 0.0602 (18) | |
H22A | −0.3134 | −0.0282 | 0.2584 | 0.072* | |
C23 | −0.0550 (16) | 0.4977 (14) | 0.0451 (6) | 0.109 (6) | 0.50 |
H23A | −0.1093 | 0.4530 | 0.0611 | 0.131* | 0.50 |
H23B | −0.0322 | 0.5488 | 0.0664 | 0.131* | 0.50 |
C24 | 0.0572 (15) | 0.4443 (12) | 0.0330 (5) | 0.102 (6) | 0.50 |
H24A | 0.0372 | 0.3752 | 0.0346 | 0.123* | 0.50 |
H24B | 0.1171 | 0.4569 | 0.0569 | 0.123* | 0.50 |
C25 | 0.1212 (12) | 0.4603 (11) | −0.0107 (5) | 0.074 (4) | 0.50 |
H25A | 0.1930 | 0.5009 | −0.0049 | 0.089* | 0.50 |
H25B | 0.1512 | 0.3975 | −0.0214 | 0.089* | 0.50 |
U11 | U22 | U33 | U12 | U13 | U23 | |
Cl1 | 0.0563 (10) | 0.1074 (15) | 0.0604 (10) | −0.0330 (10) | 0.0005 (9) | −0.0031 (10) |
Cl2 | 0.0683 (11) | 0.0879 (13) | 0.0474 (9) | −0.0067 (10) | −0.0007 (9) | −0.0095 (9) |
O1 | 0.039 (2) | 0.071 (3) | 0.058 (3) | 0.013 (2) | 0.010 (2) | 0.004 (2) |
O2 | 0.048 (3) | 0.060 (3) | 0.078 (3) | 0.016 (2) | −0.002 (2) | −0.004 (3) |
O3 | 0.084 (4) | 0.062 (3) | 0.078 (3) | 0.026 (3) | −0.006 (3) | −0.001 (3) |
O4 | 0.048 (3) | 0.065 (3) | 0.058 (3) | 0.014 (2) | 0.008 (2) | −0.001 (2) |
C1 | 0.092 (7) | 0.157 (9) | 0.048 (5) | −0.026 (6) | 0.018 (5) | −0.003 (5) |
C2 | 0.080 (6) | 0.101 (6) | 0.061 (5) | 0.008 (5) | −0.015 (4) | −0.007 (5) |
C3 | 0.056 (5) | 0.132 (8) | 0.061 (5) | −0.007 (5) | −0.003 (4) | −0.007 (5) |
C4 | 0.051 (4) | 0.111 (6) | 0.043 (4) | −0.016 (4) | 0.008 (3) | −0.006 (4) |
C5 | 0.033 (3) | 0.086 (5) | 0.041 (3) | −0.004 (3) | 0.006 (3) | −0.001 (3) |
C6 | 0.053 (4) | 0.135 (7) | 0.053 (4) | −0.015 (5) | 0.005 (4) | −0.002 (5) |
C7 | 0.035 (3) | 0.079 (5) | 0.045 (4) | −0.008 (3) | 0.006 (3) | 0.001 (3) |
C8 | 0.032 (3) | 0.059 (4) | 0.056 (4) | 0.002 (3) | −0.004 (3) | −0.004 (3) |
C9 | 0.028 (3) | 0.052 (4) | 0.049 (4) | 0.004 (3) | 0.001 (3) | −0.010 (3) |
C10 | 0.035 (3) | 0.048 (4) | 0.048 (4) | 0.004 (3) | −0.002 (3) | 0.000 (3) |
C11 | 0.032 (3) | 0.042 (3) | 0.044 (3) | 0.003 (3) | 0.001 (3) | −0.002 (3) |
C12 | 0.039 (3) | 0.042 (3) | 0.044 (3) | 0.003 (3) | 0.003 (3) | −0.006 (3) |
C13 | 0.047 (3) | 0.048 (4) | 0.049 (4) | −0.002 (3) | −0.002 (3) | 0.001 (3) |
C14 | 0.032 (3) | 0.052 (4) | 0.044 (3) | −0.003 (3) | 0.003 (2) | −0.005 (3) |
C15 | 0.057 (4) | 0.055 (4) | 0.047 (4) | 0.013 (4) | −0.005 (3) | −0.011 (3) |
C16 | 0.040 (3) | 0.061 (4) | 0.047 (4) | 0.011 (3) | 0.001 (3) | −0.001 (3) |
C17 | 0.028 (3) | 0.062 (4) | 0.061 (4) | 0.002 (3) | 0.007 (3) | −0.008 (3) |
C18 | 0.040 (4) | 0.091 (6) | 0.072 (5) | −0.002 (4) | −0.003 (4) | −0.009 (4) |
C19 | 0.041 (5) | 0.120 (8) | 0.104 (7) | −0.007 (5) | −0.009 (4) | −0.031 (6) |
C20 | 0.053 (5) | 0.089 (7) | 0.109 (8) | −0.018 (5) | 0.026 (5) | −0.041 (6) |
C21 | 0.072 (6) | 0.061 (5) | 0.103 (7) | −0.005 (4) | 0.026 (5) | −0.011 (4) |
C22 | 0.046 (4) | 0.070 (5) | 0.065 (5) | −0.004 (4) | 0.007 (3) | −0.009 (4) |
C23 | 0.108 (10) | 0.136 (10) | 0.083 (9) | −0.009 (8) | 0.005 (8) | 0.003 (8) |
C24 | 0.127 (10) | 0.098 (9) | 0.082 (8) | 0.040 (8) | −0.041 (7) | 0.035 (7) |
C25 | 0.056 (7) | 0.063 (7) | 0.104 (9) | 0.018 (6) | −0.002 (7) | 0.005 (7) |
Cl1—C7 | 1.817 (6) | C11—C16 | 1.517 (7) |
Cl2—C16 | 1.808 (6) | C12—C13 | 1.382 (7) |
O1—C8 | 1.357 (7) | C12—C15 | 1.476 (8) |
O1—C7 | 1.426 (7) | C13—C14 | 1.394 (8) |
O2—C8 | 1.207 (7) | C13—H13A | 0.9300 |
O3—C15 | 1.201 (7) | C16—C17 | 1.500 (8) |
O4—C15 | 1.372 (7) | C17—C22 | 1.358 (8) |
O4—C16 | 1.438 (7) | C17—C18 | 1.367 (9) |
C1—C2 | 1.361 (10) | C18—C19 | 1.373 (10) |
C1—C6 | 1.361 (10) | C18—H18A | 0.9300 |
C1—H1A | 0.9300 | C19—C20 | 1.350 (11) |
C2—C3 | 1.345 (10) | C19—H19A | 0.9300 |
C2—H2A | 0.9300 | C20—C21 | 1.353 (11) |
C3—C4 | 1.351 (9) | C20—H20A | 0.9300 |
C3—H3A | 0.9300 | C21—C22 | 1.376 (9) |
C4—C5 | 1.395 (7) | C21—H21A | 0.9300 |
C4—H4A | 0.9300 | C22—H22A | 0.9300 |
C5—C6 | 1.358 (8) | C23—C25i | 1.365 (19) |
C5—C7 | 1.505 (8) | C23—C24 | 1.460 (9) |
C6—H6A | 0.9300 | C23—H23A | 0.9700 |
C7—C14 | 1.505 (7) | C23—H23B | 0.9700 |
C8—C9 | 1.467 (8) | C24—C25 | 1.475 (9) |
C9—C10 | 1.389 (7) | C24—H24A | 0.9700 |
C9—C14 | 1.399 (8) | C24—H24B | 0.9700 |
C10—C11 | 1.389 (7) | C25—C23i | 1.365 (19) |
C10—H10A | 0.9300 | C25—H25A | 0.9700 |
C11—C12 | 1.379 (7) | C25—H25B | 0.9700 |
C8—O1—C7 | 110.6 (4) | C9—C14—C7 | 107.9 (5) |
C15—O4—C16 | 111.6 (4) | O3—C15—O4 | 122.2 (6) |
C2—C1—C6 | 120.1 (8) | O3—C15—C12 | 130.0 (6) |
C2—C1—H1A | 120.0 | O4—C15—C12 | 107.7 (5) |
C6—C1—H1A | 120.0 | O4—C16—C17 | 110.7 (5) |
C3—C2—C1 | 119.5 (8) | O4—C16—C11 | 103.7 (5) |
C3—C2—H2A | 120.3 | C17—C16—C11 | 115.9 (5) |
C1—C2—H2A | 120.3 | O4—C16—Cl2 | 105.6 (4) |
C2—C3—C4 | 120.3 (7) | C17—C16—Cl2 | 111.8 (5) |
C2—C3—H3A | 119.9 | C11—C16—Cl2 | 108.4 (4) |
C4—C3—H3A | 119.9 | C22—C17—C18 | 117.7 (7) |
C3—C4—C5 | 121.8 (6) | C22—C17—C16 | 121.9 (6) |
C3—C4—H4A | 119.1 | C18—C17—C16 | 120.3 (7) |
C5—C4—H4A | 119.1 | C17—C18—C19 | 121.4 (8) |
C6—C5—C4 | 116.1 (6) | C17—C18—H18A | 119.3 |
C6—C5—C7 | 123.4 (6) | C19—C18—H18A | 119.3 |
C4—C5—C7 | 120.4 (5) | C20—C19—C18 | 119.3 (8) |
C5—C6—C1 | 122.2 (7) | C20—C19—H19A | 120.4 |
C5—C6—H6A | 118.9 | C18—C19—H19A | 120.4 |
C1—C6—H6A | 118.9 | C21—C20—C19 | 121.0 (8) |
O1—C7—C14 | 105.1 (5) | C21—C20—H20A | 119.5 |
O1—C7—C5 | 109.8 (5) | C19—C20—H20A | 119.5 |
C14—C7—C5 | 115.4 (5) | C20—C21—C22 | 118.9 (8) |
O1—C7—Cl1 | 107.8 (4) | C20—C21—H21A | 120.5 |
C14—C7—Cl1 | 107.1 (4) | C22—C21—H21A | 120.5 |
C5—C7—Cl1 | 111.2 (4) | C17—C22—C21 | 121.7 (7) |
O2—C8—O1 | 120.8 (6) | C17—C22—H22A | 119.1 |
O2—C8—C9 | 129.7 (6) | C21—C22—H22A | 119.1 |
O1—C8—C9 | 109.4 (5) | C25i—C23—C24 | 117.8 (14) |
C10—C9—C14 | 123.3 (5) | C25i—C23—H23A | 107.8 |
C10—C9—C8 | 129.8 (6) | C24—C23—H23A | 107.8 |
C14—C9—C8 | 106.9 (5) | C25i—C23—H23B | 107.9 |
C11—C10—C9 | 114.6 (5) | C24—C23—H23B | 107.8 |
C11—C10—H10A | 122.7 | H23A—C23—H23B | 107.2 |
C9—C10—H10A | 122.7 | C23—C24—C25 | 121.8 (12) |
C12—C11—C10 | 121.9 (5) | C23—C24—H24A | 106.9 |
C12—C11—C16 | 108.6 (5) | C25—C24—H24A | 106.9 |
C10—C11—C16 | 129.4 (5) | C23—C24—H24B | 106.9 |
C11—C12—C13 | 124.1 (5) | C25—C24—H24B | 106.9 |
C11—C12—C15 | 108.2 (5) | H24A—C24—H24B | 106.7 |
C13—C12—C15 | 127.7 (6) | C23i—C25—C24 | 117.4 (11) |
C12—C13—C14 | 114.5 (5) | C23i—C25—H25A | 107.9 |
C12—C13—H13A | 122.7 | C24—C25—H25A | 107.9 |
C14—C13—H13A | 122.7 | C23i—C25—H25B | 107.9 |
C13—C14—C9 | 121.5 (5) | C24—C25—H25B | 107.9 |
C13—C14—C7 | 130.7 (6) | H25A—C25—H25B | 107.2 |
C6—C1—C2—C3 | −3.3 (14) | C8—C9—C14—C7 | −0.3 (6) |
C1—C2—C3—C4 | 3.7 (14) | O1—C7—C14—C13 | −177.3 (6) |
C2—C3—C4—C5 | −1.2 (13) | C5—C7—C14—C13 | −56.2 (9) |
C3—C4—C5—C6 | −1.7 (12) | Cl1—C7—C14—C13 | 68.2 (7) |
C3—C4—C5—C7 | −176.5 (7) | O1—C7—C14—C9 | 2.2 (6) |
C4—C5—C6—C1 | 2.2 (13) | C5—C7—C14—C9 | 123.3 (6) |
C7—C5—C6—C1 | 176.8 (8) | Cl1—C7—C14—C9 | −112.3 (5) |
C2—C1—C6—C5 | 0.3 (15) | C16—O4—C15—O3 | −178.4 (6) |
C8—O1—C7—C14 | −3.4 (6) | C16—O4—C15—C12 | 3.8 (6) |
C8—O1—C7—C5 | −128.1 (5) | C11—C12—C15—O3 | −179.4 (7) |
C8—O1—C7—Cl1 | 110.5 (4) | C13—C12—C15—O3 | −1.4 (11) |
C6—C5—C7—O1 | −84.6 (8) | C11—C12—C15—O4 | −1.8 (6) |
C4—C5—C7—O1 | 89.7 (7) | C13—C12—C15—O4 | 176.2 (5) |
C6—C5—C7—C14 | 156.9 (7) | C15—O4—C16—C17 | −129.0 (5) |
C4—C5—C7—C14 | −28.8 (10) | C15—O4—C16—C11 | −4.0 (6) |
C6—C5—C7—Cl1 | 34.6 (9) | C15—O4—C16—Cl2 | 109.9 (4) |
C4—C5—C7—Cl1 | −151.0 (6) | C12—C11—C16—O4 | 2.8 (6) |
C7—O1—C8—O2 | −178.9 (6) | C10—C11—C16—O4 | −175.4 (5) |
C7—O1—C8—C9 | 3.3 (6) | C12—C11—C16—C17 | 124.3 (6) |
O2—C8—C9—C10 | 1.0 (11) | C10—C11—C16—C17 | −53.9 (8) |
O1—C8—C9—C10 | 178.5 (6) | C12—C11—C16—Cl2 | −109.1 (5) |
O2—C8—C9—C14 | −179.3 (6) | C10—C11—C16—Cl2 | 72.7 (7) |
O1—C8—C9—C14 | −1.8 (6) | O4—C16—C17—C22 | −154.9 (6) |
C14—C9—C10—C11 | 2.0 (8) | C11—C16—C17—C22 | 87.4 (7) |
C8—C9—C10—C11 | −178.3 (6) | Cl2—C16—C17—C22 | −37.5 (7) |
C9—C10—C11—C12 | −1.3 (8) | O4—C16—C17—C18 | 29.3 (8) |
C9—C10—C11—C16 | 176.7 (5) | C11—C16—C17—C18 | −88.4 (7) |
C10—C11—C12—C13 | −0.4 (9) | Cl2—C16—C17—C18 | 146.7 (5) |
C16—C11—C12—C13 | −178.8 (5) | C22—C17—C18—C19 | 0.5 (10) |
C10—C11—C12—C15 | 177.7 (5) | C16—C17—C18—C19 | 176.5 (6) |
C16—C11—C12—C15 | −0.7 (6) | C17—C18—C19—C20 | 0.6 (12) |
C11—C12—C13—C14 | 1.5 (8) | C18—C19—C20—C21 | −1.1 (12) |
C15—C12—C13—C14 | −176.3 (5) | C19—C20—C21—C22 | 0.4 (12) |
C12—C13—C14—C9 | −0.8 (8) | C18—C17—C22—C21 | −1.3 (10) |
C12—C13—C14—C7 | 178.7 (5) | C16—C17—C22—C21 | −177.2 (6) |
C10—C9—C14—C13 | −1.0 (9) | C20—C21—C22—C17 | 0.8 (10) |
C8—C9—C14—C13 | 179.3 (5) | C25i—C23—C24—C25 | 20 (3) |
C10—C9—C14—C7 | 179.4 (5) | C23—C24—C25—C23i | −20 (3) |
Symmetry code: (i) −x, −y+1, −z. |
D—H···A | D—H | H···A | D···A | D—H···A |
C6—H6A···Cl1 | 0.93 | 2.70 | 3.076 (6) | 105 |
C18—H18A···O4 | 0.93 | 2.45 | 2.775 (9) | 101 |
C22—H22A···Cl2 | 0.93 | 2.70 | 3.069 (7) | 104 |
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