Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804023633/bt6528sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804023633/bt6528Isup2.hkl |
CCDC reference: 253045
Key indicators
- Single-crystal X-ray study
- T = 150 K
- Mean (C-C) = 0.002 Å
- R factor = 0.047
- wR factor = 0.115
- Data-to-parameter ratio = 19.0
checkCIF/PLATON results
No syntax errors found
Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90 Tmin and Tmax reported: 0.850 1.000 Tmin' and Tmax expected: 0.975 0.994 RR' = 0.867 Please check that your absorption correction is appropriate. PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large ............. 0.87 PLAT230_ALERT_2_C Hirshfeld Test Diff for C16 - C18 .. 5.35 su
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 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 1 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 0 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: COLLECT (Nonius, 2002); cell refinement: DIRAX (Duisenberg, 1992); data reduction: EVALCCD (Duisenberg et al., 2003); program(s) used to solve structure: SHELXS86 (Sheldrick, 1986); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 2003); software used to prepare material for publication: PLATON.
C38H52N2O2 | F(000) = 620 |
Mr = 568.82 | Accurate unit cell determined from phi-chi data using DIRAX (Duisenberg, 1992). |
Monoclinic, P21/c | Dx = 1.138 Mg m−3 |
Hall symbol: -P 2ybc | Mo Kα radiation, λ = 0.71073 Å |
a = 15.8792 (18) Å | Cell parameters from 46 reflections |
b = 10.4601 (11) Å | θ = 5.5–20.5° |
c = 10.4395 (15) Å | µ = 0.07 mm−1 |
β = 106.856 (10)° | T = 150 K |
V = 1659.5 (4) Å3 | Block, yellow |
Z = 2 | 0.36 × 0.25 × 0.08 mm |
Nonius KappaCCD diffractometer | 3791 independent reflections |
Radiation source: Rotating anode | 2661 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.057 |
Wide–angle φ and ω scans | θmax = 27.5°, θmin = 2.4° |
Absorption correction: multi-scan (SADABS; Sheldrick, 2004) | h = −20→20 |
Tmin = 0.850, Tmax = 1.000 | k = −13→13 |
43559 measured reflections | l = −13→13 |
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)] = 0.047 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.115 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.03 | w = 1/[σ2(Fo2) + (0.0486P)2 + 0.5767P] where P = (Fo2 + 2Fc2)/3 |
3791 reflections | (Δ/σ)max < 0.001 |
200 parameters | Δρmax = 0.25 e Å−3 |
0 restraints | Δρmin = −0.20 e Å−3 |
Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All su's are estimated from the variances of the (full) variance-covariance matrix. The cell e.s.d.'s are taken into account in the estimation of distances, angles and torsion angles |
Refinement. Refinement on F2 for ALL reflections except those flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The observed criterion of F2 > σ(F2) is used only for calculating -R-factor-obs 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 | ||
O30 | 0.14240 (7) | −0.00435 (10) | 0.50563 (11) | 0.0302 (3) | |
N20 | 0.08326 (8) | 0.16781 (12) | 0.32842 (11) | 0.0256 (4) | |
C1 | −0.05226 (10) | 0.10706 (15) | −0.02303 (14) | 0.0288 (5) | |
C2 | 0.01496 (9) | 0.09803 (14) | 0.09648 (14) | 0.0238 (4) | |
C3 | 0.06685 (10) | −0.01058 (15) | 0.11775 (14) | 0.0287 (5) | |
C4 | 0.02961 (10) | 0.20704 (15) | 0.19587 (14) | 0.0264 (5) | |
C5 | 0.13754 (9) | 0.24683 (14) | 0.40117 (14) | 0.0233 (4) | |
C6 | 0.19586 (9) | 0.21098 (14) | 0.53204 (14) | 0.0214 (4) | |
C7 | 0.25310 (9) | 0.30177 (14) | 0.60838 (14) | 0.0220 (4) | |
C8 | 0.31309 (9) | 0.27112 (13) | 0.72957 (14) | 0.0206 (4) | |
C9 | 0.31548 (9) | 0.14393 (14) | 0.77053 (13) | 0.0215 (4) | |
C10 | 0.26079 (9) | 0.04827 (13) | 0.69890 (13) | 0.0210 (4) | |
C11 | 0.19869 (9) | 0.08399 (14) | 0.57852 (13) | 0.0218 (4) | |
C12 | 0.26954 (10) | −0.09143 (14) | 0.74628 (14) | 0.0247 (4) | |
C13 | 0.34254 (11) | −0.10899 (15) | 0.87761 (15) | 0.0312 (5) | |
C14 | 0.18354 (11) | −0.13670 (16) | 0.77040 (16) | 0.0337 (5) | |
C15 | 0.29201 (12) | −0.17506 (15) | 0.63962 (16) | 0.0344 (5) | |
C16 | 0.37666 (10) | 0.37241 (14) | 0.81026 (14) | 0.0234 (4) | |
C17 | 0.42833 (12) | 0.32403 (17) | 0.94876 (16) | 0.0405 (6) | |
C18 | 0.32464 (12) | 0.48989 (16) | 0.83023 (18) | 0.0382 (6) | |
C19 | 0.44122 (11) | 0.41042 (18) | 0.73364 (16) | 0.0388 (6) | |
H1 | −0.08880 | 0.18070 | −0.04000 | 0.0350* | |
H3 | 0.11320 | −0.01910 | 0.19860 | 0.0340* | |
H4A | 0.05910 | 0.27850 | 0.16380 | 0.0320* | |
H4B | −0.02800 | 0.23830 | 0.20180 | 0.0320* | |
H5 | 0.14010 | 0.33140 | 0.36940 | 0.0280* | |
H7 | 0.25080 | 0.38710 | 0.57630 | 0.0260* | |
H9 | 0.35720 | 0.12110 | 0.85270 | 0.0260* | |
H13A | 0.39860 | −0.08000 | 0.86620 | 0.0470* | |
H13B | 0.34700 | −0.19960 | 0.90270 | 0.0470* | |
H13C | 0.32880 | −0.05870 | 0.94820 | 0.0470* | |
H14A | 0.17270 | −0.08750 | 0.84400 | 0.0510* | |
H14B | 0.18820 | −0.22770 | 0.79370 | 0.0510* | |
H14C | 0.13470 | −0.12380 | 0.68890 | 0.0510* | |
H15A | 0.24480 | −0.16850 | 0.55520 | 0.0520* | |
H15B | 0.29820 | −0.26430 | 0.66960 | 0.0520* | |
H15C | 0.34740 | −0.14570 | 0.62600 | 0.0520* | |
H17A | 0.46530 | 0.25170 | 0.93930 | 0.0610* | |
H17B | 0.38720 | 0.29630 | 0.99750 | 0.0610* | |
H17C | 0.46560 | 0.39290 | 0.99840 | 0.0610* | |
H18A | 0.36530 | 0.55510 | 0.88030 | 0.0570* | |
H18B | 0.28360 | 0.46560 | 0.88040 | 0.0570* | |
H18C | 0.29160 | 0.52430 | 0.74280 | 0.0570* | |
H19A | 0.48120 | 0.47640 | 0.78370 | 0.0580* | |
H19B | 0.40860 | 0.44390 | 0.64550 | 0.0580* | |
H19C | 0.47540 | 0.33540 | 0.72240 | 0.0580* | |
H30 | 0.1066 (14) | 0.042 (2) | 0.427 (2) | 0.065 (6)* |
U11 | U22 | U33 | U12 | U13 | U23 | |
O30 | 0.0344 (6) | 0.0244 (6) | 0.0260 (6) | −0.0102 (5) | −0.0002 (5) | −0.0028 (5) |
N20 | 0.0239 (7) | 0.0305 (7) | 0.0204 (6) | −0.0036 (5) | 0.0033 (5) | −0.0009 (5) |
C1 | 0.0264 (8) | 0.0319 (9) | 0.0244 (8) | 0.0031 (7) | 0.0017 (6) | 0.0026 (7) |
C2 | 0.0197 (7) | 0.0310 (8) | 0.0197 (7) | −0.0045 (6) | 0.0042 (6) | 0.0019 (6) |
C3 | 0.0224 (8) | 0.0379 (9) | 0.0199 (7) | 0.0020 (7) | −0.0031 (6) | 0.0016 (7) |
C4 | 0.0227 (8) | 0.0304 (8) | 0.0234 (8) | −0.0010 (6) | 0.0024 (6) | 0.0016 (6) |
C5 | 0.0228 (7) | 0.0235 (7) | 0.0240 (7) | 0.0004 (6) | 0.0076 (6) | 0.0001 (6) |
C6 | 0.0198 (7) | 0.0241 (7) | 0.0206 (7) | −0.0006 (6) | 0.0062 (6) | −0.0012 (6) |
C7 | 0.0248 (8) | 0.0183 (7) | 0.0233 (7) | −0.0010 (6) | 0.0074 (6) | −0.0003 (6) |
C8 | 0.0215 (7) | 0.0202 (7) | 0.0202 (7) | −0.0019 (6) | 0.0064 (6) | −0.0016 (6) |
C9 | 0.0223 (7) | 0.0226 (7) | 0.0187 (7) | 0.0001 (6) | 0.0047 (6) | −0.0002 (6) |
C10 | 0.0243 (7) | 0.0196 (7) | 0.0208 (7) | −0.0012 (6) | 0.0094 (6) | −0.0014 (6) |
C11 | 0.0229 (7) | 0.0230 (7) | 0.0201 (7) | −0.0054 (6) | 0.0074 (6) | −0.0053 (6) |
C12 | 0.0326 (8) | 0.0181 (7) | 0.0239 (7) | −0.0035 (6) | 0.0092 (6) | −0.0012 (6) |
C13 | 0.0412 (9) | 0.0225 (8) | 0.0287 (8) | 0.0009 (7) | 0.0083 (7) | 0.0054 (6) |
C14 | 0.0400 (10) | 0.0289 (9) | 0.0337 (9) | −0.0106 (7) | 0.0129 (7) | 0.0004 (7) |
C15 | 0.0522 (11) | 0.0214 (8) | 0.0315 (9) | 0.0022 (7) | 0.0153 (8) | −0.0005 (7) |
C16 | 0.0272 (8) | 0.0204 (7) | 0.0200 (7) | −0.0059 (6) | 0.0027 (6) | −0.0016 (6) |
C17 | 0.0480 (11) | 0.0340 (9) | 0.0279 (9) | −0.0163 (8) | −0.0074 (8) | 0.0013 (7) |
C18 | 0.0417 (10) | 0.0271 (9) | 0.0444 (10) | −0.0083 (7) | 0.0101 (8) | −0.0120 (8) |
C19 | 0.0359 (9) | 0.0484 (11) | 0.0316 (9) | −0.0195 (8) | 0.0092 (7) | −0.0095 (8) |
O30—C11 | 1.3555 (18) | C3—H3 | 0.9500 |
O30—H30 | 0.98 (2) | C4—H4A | 0.9900 |
N20—C5 | 1.2741 (19) | C4—H4B | 0.9900 |
N20—C4 | 1.4578 (18) | C5—H5 | 0.9500 |
C1—C2 | 1.390 (2) | C7—H7 | 0.9500 |
C1—C3i | 1.385 (2) | C9—H9 | 0.9500 |
C2—C3 | 1.383 (2) | C13—H13A | 0.9800 |
C2—C4 | 1.514 (2) | C13—H13B | 0.9800 |
C5—C6 | 1.460 (2) | C13—H13C | 0.9800 |
C6—C11 | 1.410 (2) | C14—H14A | 0.9800 |
C6—C7 | 1.394 (2) | C14—H14B | 0.9800 |
C7—C8 | 1.383 (2) | C14—H14C | 0.9800 |
C8—C9 | 1.395 (2) | C15—H15A | 0.9800 |
C8—C16 | 1.536 (2) | C15—H15B | 0.9800 |
C9—C10 | 1.392 (2) | C15—H15C | 0.9800 |
C10—C11 | 1.4045 (19) | C17—H17A | 0.9800 |
C10—C12 | 1.536 (2) | C17—H17B | 0.9800 |
C12—C14 | 1.534 (2) | C17—H17C | 0.9800 |
C12—C15 | 1.537 (2) | C18—H18A | 0.9800 |
C12—C13 | 1.528 (2) | C18—H18B | 0.9800 |
C16—C18 | 1.528 (2) | C18—H18C | 0.9800 |
C16—C19 | 1.525 (2) | C19—H19A | 0.9800 |
C16—C17 | 1.527 (2) | C19—H19B | 0.9800 |
C1—H1 | 0.9500 | C19—H19C | 0.9800 |
O30···N20 | 2.5573 (16) | H13A···C9 | 2.7300 |
O30···C14 | 2.989 (2) | H13A···H9 | 2.2000 |
O30···C15 | 2.977 (2) | H13A···H15C | 2.5000 |
O30···H14C | 2.3200 | H13A···C19ix | 3.0200 |
O30···H15A | 2.3200 | H13A···H19Cix | 2.5900 |
N20···O30 | 2.5573 (16) | H13B···H14B | 2.4600 |
N20···H3 | 2.5000 | H13B···H15B | 2.4300 |
N20···H30 | 1.65 (2) | H13C···C9 | 2.7800 |
C2···C5ii | 3.589 (2) | H13C···H9 | 2.2300 |
C4···C14iii | 3.579 (2) | H13C···H14A | 2.4200 |
C5···C2iv | 3.589 (2) | H13C···H19Biv | 2.4000 |
C14···O30 | 2.989 (2) | H14A···H13C | 2.4200 |
C14···C4iii | 3.579 (2) | H14A···C1iii | 3.0400 |
C15···O30 | 2.977 (2) | H14B···H13B | 2.4600 |
C1···H14Aiii | 3.0400 | H14B···H15B | 2.4900 |
C4···H30 | 2.93 (2) | H14B···H4Biii | 2.5600 |
C5···H30 | 2.23 (2) | H14C···O30 | 2.3200 |
C6···H18Bii | 3.0200 | H14C···C11 | 2.7900 |
C6···H4Aiv | 2.8900 | H14C···H15A | 2.5800 |
C7···H19B | 2.8100 | H14C···H1v | 2.5400 |
C7···H18C | 2.7000 | H14C···H4Biii | 2.5900 |
C7···H17Bii | 2.8900 | H15A···O30 | 2.3200 |
C8···H17Bii | 3.0700 | H15A···C11 | 2.7700 |
C9···H13A | 2.7300 | H15A···H14C | 2.5800 |
C9···H13C | 2.7800 | H15B···C18x | 3.0300 |
C9···H17B | 2.8100 | H15B···H13B | 2.4300 |
C9···H17A | 2.7600 | H15B···H14B | 2.4900 |
C11···H15A | 2.7700 | H15B···H18Cx | 2.3500 |
C11···H18Bii | 2.8300 | H15C···H13A | 2.5000 |
C11···H14C | 2.7900 | H17A···C9 | 2.7600 |
C11···H4Aiv | 2.9900 | H17A···H9 | 2.1700 |
C13···H9 | 2.4400 | H17A···H19C | 2.4800 |
C14···H4Biii | 2.7800 | H17B···C9 | 2.8100 |
C14···H1v | 3.1000 | H17B···H9 | 2.3400 |
C17···H9 | 2.4800 | H17B···H18B | 2.4800 |
C18···H7 | 2.7800 | H17B···C7iv | 2.8900 |
C18···H15Bvi | 3.0300 | H17B···C8iv | 3.0700 |
C19···H7 | 3.0000 | H17C···H18A | 2.4100 |
C19···H13Avii | 3.0200 | H17C···H19A | 2.4800 |
H1···H4B | 2.5000 | H17C···H17Cxi | 2.4900 |
H1···C14viii | 3.1000 | H17C···H19Axi | 2.5800 |
H1···H14Cviii | 2.5400 | H18A···H17C | 2.4100 |
H3···N20 | 2.5000 | H18A···H19A | 2.4800 |
H3···H30 | 2.5000 | H18B···H17B | 2.4800 |
H4A···H5 | 2.2300 | H18B···C6iv | 3.0200 |
H4A···C6ii | 2.8900 | H18B···C11iv | 2.8300 |
H4A···C11ii | 2.9900 | H18C···C7 | 2.7000 |
H4B···H1 | 2.5000 | H18C···H7 | 2.2000 |
H4B···C14iii | 2.7800 | H18C···H15Bvi | 2.3500 |
H4B···H14Biii | 2.5600 | H18C···H19B | 2.5100 |
H4B···H14Ciii | 2.5900 | H19A···H17C | 2.4800 |
H5···H4A | 2.2300 | H19A···H18A | 2.4800 |
H5···H7 | 2.4300 | H19A···H17Cxi | 2.5800 |
H7···C18 | 2.7800 | H19B···C7 | 2.8100 |
H7···C19 | 3.0000 | H19B···H7 | 2.4700 |
H7···H5 | 2.4300 | H19B···H18C | 2.5100 |
H7···H18C | 2.2000 | H19B···H13Cii | 2.4000 |
H7···H19B | 2.4700 | H19C···H17A | 2.4800 |
H9···C13 | 2.4400 | H19C···H13Avii | 2.5900 |
H9···C17 | 2.4800 | H30···N20 | 1.65 (2) |
H9···H13A | 2.2000 | H30···C4 | 2.93 (2) |
H9···H13C | 2.2300 | H30···C5 | 2.23 (2) |
H9···H17A | 2.1700 | H30···H3 | 2.5000 |
H9···H17B | 2.3400 | ||
C11—O30—H30 | 105.1 (12) | H4A—C4—H4B | 108.00 |
C4—N20—C5 | 119.43 (13) | N20—C5—H5 | 119.00 |
C2—C1—C3i | 121.16 (14) | C6—C5—H5 | 119.00 |
C1—C2—C3 | 117.81 (13) | C6—C7—H7 | 119.00 |
C3—C2—C4 | 122.87 (13) | C8—C7—H7 | 119.00 |
C1—C2—C4 | 119.30 (13) | C8—C9—H9 | 118.00 |
C1i—C3—C2 | 121.03 (14) | C10—C9—H9 | 118.00 |
N20—C4—C2 | 111.72 (12) | C12—C13—H13A | 109.00 |
N20—C5—C6 | 121.81 (13) | C12—C13—H13B | 109.00 |
C5—C6—C7 | 119.45 (13) | C12—C13—H13C | 109.00 |
C7—C6—C11 | 119.64 (13) | H13A—C13—H13B | 110.00 |
C5—C6—C11 | 120.81 (13) | H13A—C13—H13C | 109.00 |
C6—C7—C8 | 121.81 (13) | H13B—C13—H13C | 109.00 |
C7—C8—C16 | 120.72 (12) | C12—C14—H14A | 109.00 |
C9—C8—C16 | 122.34 (12) | C12—C14—H14B | 110.00 |
C7—C8—C9 | 116.87 (13) | C12—C14—H14C | 109.00 |
C8—C9—C10 | 124.31 (13) | H14A—C14—H14B | 109.00 |
C9—C10—C12 | 121.79 (12) | H14A—C14—H14C | 109.00 |
C11—C10—C12 | 121.04 (12) | H14B—C14—H14C | 109.00 |
C9—C10—C11 | 117.14 (13) | C12—C15—H15A | 110.00 |
O30—C11—C10 | 119.90 (13) | C12—C15—H15B | 109.00 |
C6—C11—C10 | 120.16 (13) | C12—C15—H15C | 109.00 |
O30—C11—C6 | 119.92 (12) | H15A—C15—H15B | 109.00 |
C10—C12—C13 | 112.18 (12) | H15A—C15—H15C | 109.00 |
C10—C12—C14 | 110.18 (13) | H15B—C15—H15C | 109.00 |
C13—C12—C14 | 107.19 (12) | C16—C17—H17A | 109.00 |
C13—C12—C15 | 107.85 (13) | C16—C17—H17B | 109.00 |
C10—C12—C15 | 109.05 (12) | C16—C17—H17C | 109.00 |
C14—C12—C15 | 110.37 (13) | H17A—C17—H17B | 109.00 |
C8—C16—C18 | 109.53 (13) | H17A—C17—H17C | 109.00 |
C8—C16—C19 | 109.10 (12) | H17B—C17—H17C | 110.00 |
C8—C16—C17 | 112.21 (13) | C16—C18—H18A | 110.00 |
C17—C16—C19 | 108.95 (14) | C16—C18—H18B | 109.00 |
C18—C16—C19 | 109.52 (13) | C16—C18—H18C | 109.00 |
C17—C16—C18 | 107.49 (13) | H18A—C18—H18B | 109.00 |
C2—C1—H1 | 119.00 | H18A—C18—H18C | 109.00 |
C3i—C1—H1 | 119.00 | H18B—C18—H18C | 109.00 |
C2—C3—H3 | 119.00 | C16—C19—H19A | 110.00 |
C1i—C3—H3 | 119.00 | C16—C19—H19B | 109.00 |
N20—C4—H4A | 109.00 | C16—C19—H19C | 110.00 |
N20—C4—H4B | 109.00 | H19A—C19—H19B | 109.00 |
C2—C4—H4A | 109.00 | H19A—C19—H19C | 109.00 |
C2—C4—H4B | 109.00 | H19B—C19—H19C | 109.00 |
C5—N20—C4—C2 | 144.47 (14) | C7—C8—C16—C18 | 52.91 (18) |
C4—N20—C5—C6 | −177.07 (13) | C7—C8—C9—C10 | −1.2 (2) |
C3i—C1—C2—C3 | 0.0 (2) | C16—C8—C9—C10 | −178.22 (14) |
C3i—C1—C2—C4 | 178.79 (14) | C7—C8—C16—C17 | 172.21 (14) |
C2—C1—C3i—C2i | 0.0 (2) | C9—C8—C16—C17 | −10.9 (2) |
C4—C2—C3—C1i | −178.74 (15) | C9—C8—C16—C18 | −130.22 (15) |
C1—C2—C4—N20 | 163.11 (14) | C9—C8—C16—C19 | 109.92 (16) |
C1—C2—C3—C1i | 0.0 (2) | C8—C9—C10—C12 | 177.16 (14) |
C3—C2—C4—N20 | −18.2 (2) | C8—C9—C10—C11 | −0.9 (2) |
N20—C5—C6—C11 | 4.7 (2) | C9—C10—C11—C6 | 2.5 (2) |
N20—C5—C6—C7 | −179.07 (14) | C12—C10—C11—O30 | 3.3 (2) |
C5—C6—C11—O30 | −4.7 (2) | C9—C10—C11—O30 | −178.69 (13) |
C5—C6—C11—C10 | 174.11 (14) | C11—C10—C12—C14 | −62.09 (17) |
C7—C6—C11—O30 | 179.11 (13) | C11—C10—C12—C15 | 59.18 (19) |
C7—C6—C11—C10 | −2.1 (2) | C12—C10—C11—C6 | −175.52 (13) |
C5—C6—C7—C8 | −176.36 (14) | C9—C10—C12—C13 | 0.7 (2) |
C11—C6—C7—C8 | −0.1 (2) | C9—C10—C12—C14 | 119.97 (15) |
C6—C7—C8—C16 | 178.75 (14) | C9—C10—C12—C15 | −118.76 (15) |
C6—C7—C8—C9 | 1.7 (2) | C11—C10—C12—C13 | 178.58 (14) |
C7—C8—C16—C19 | −66.96 (18) |
Symmetry codes: (i) −x, −y, −z; (ii) x, −y+1/2, z−1/2; (iii) −x, −y, −z+1; (iv) x, −y+1/2, z+1/2; (v) −x, y−1/2, −z+1/2; (vi) x, y+1, z; (vii) −x+1, y+1/2, −z+3/2; (viii) −x, y+1/2, −z+1/2; (ix) −x+1, y−1/2, −z+3/2; (x) x, y−1, z; (xi) −x+1, −y+1, −z+2. |
D—H···A | D—H | H···A | D···A | D—H···A |
O30—H30···N20 | 0.98 (2) | 1.65 (2) | 2.5573 (16) | 152.9 (19) |
C3—H3···N20 | 0.95 | 2.5 | 2.8380 (19) | 101 |
C14—H14C···O30 | 0.98 | 2.32 | 2.989 (2) | 125 |
C15—H15A···O30 | 0.98 | 2.32 | 2.977 (2) | 124 |
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