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In the title compound, C30H24N2O·0.5C4H8O2, the piperidone ring adopts the chair conformation and all the phenyl rings are equatorially oriented. The ethyl acetate mol­ecule is present as a space filler and does not participate in the hydrogen-bonding network. The crystal structure is stabilized through C—H...N and C—H...O hydrogen bonds. No significant C—H...π and π–π inter­actions are observed.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806007781/ac6232sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806007781/ac6232Isup2.hkl
Contains datablock I

CCDC reference: 604948

Key indicators

  • Single-crystal X-ray study
  • T = 105 K
  • Mean [sigma](C-C) = 0.003 Å
  • Disorder in solvent or counterion
  • R factor = 0.067
  • wR factor = 0.188
  • Data-to-parameter ratio = 18.7

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.77 Ratio PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for C8 PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 50.00 Perc. PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C9 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 73 C6 -N1 -C7 -N2 91.00 3.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 74 C2 -N1 -C7 -N2 -130.00 3.00 1.555 1.555 1.555 1.555 PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) . 1.21 Ratio
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 8 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 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 0 ALERT type 3 Indicator that the structure quality may be low 6 ALERT type 4 Improvement, methodology, query or suggestion
checkCIF publication errors
Alert level A PUBL024_ALERT_1_A The number of authors is greater than 5. Please specify the role of each of the co-authors for your paper.
Author Response:
 J. Suresh, R.V. Krishnakumar, S. Natarajan have
 contributed to the crystallization, structure solution
 and analysis, respectively.

 V.P. Alex Raja and S. Perumal have contributed to the
 synthesis of the compound under study.

 A. Mostad have contributed to the X-ray intensity data
 collection using SMART APEX CCD diffractometer.



1 ALERT level A = Data missing that is essential or data in wrong format 0 ALERT level G = General alerts. Data that may be required is missing

Computing details top

Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 2003); software used to prepare material for publication: SHELXL97.

4-Oxo-2,3,5,6-tetraphenylpiperidine-1-carbonitrile ethyl acetate hemisolvate top
Crystal data top
C30H24N2O·0.5C4H8O2F(000) = 1000
Mr = 472.56Dx = 1.178 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 6611 reflections
a = 9.3887 (3) Åθ = 2–23°
b = 10.6241 (4) ŵ = 0.07 mm1
c = 26.7247 (10) ÅT = 105 K
β = 92.232 (2)°Block, colourless
V = 2663.67 (17) Å30.26 × 0.18 × 0.12 mm
Z = 4
Data collection top
Bruker SMART APEX CCD
diffractometer
6596 independent reflections
Radiation source: fine-focus sealed tube5640 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.040
ω scansθmax = 28.3°, θmin = 1.5°
Absorption correction: multi-scan
(SADABS; Bruker, 1998)
h = 1212
Tmin = 0.97, Tmax = 0.99k = 1414
40759 measured reflectionsl = 3535
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.067Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.188H-atom parameters constrained
S = 1.12 w = 1/[σ2(Fo2) + (0.0737P)2 + 2.1461P]
where P = (Fo2 + 2Fc2)/3
6596 reflections(Δ/σ)max < 0.001
352 parametersΔρmax = 0.46 e Å3
1 restraintΔρmin = 0.24 e Å3
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
O10.04789 (14)0.00962 (15)0.16462 (5)0.0379 (3)
N10.37233 (15)0.21068 (14)0.22197 (5)0.0236 (3)
N20.5316 (2)0.38502 (19)0.25107 (7)0.0422 (4)
C20.35442 (17)0.19334 (16)0.16675 (6)0.0231 (3)
H20.28430.25440.15360.028*
C30.29627 (17)0.05854 (16)0.15663 (6)0.0229 (3)
H30.36710.00110.17040.027*
C40.15975 (18)0.04043 (16)0.18499 (6)0.0249 (3)
C50.17797 (17)0.06278 (15)0.24111 (6)0.0228 (3)
H50.24770.00130.25420.027*
C60.24167 (17)0.19602 (16)0.25125 (6)0.0227 (3)
H60.17170.25960.24010.027*
C210.49415 (18)0.21525 (17)0.14176 (6)0.0258 (3)
C220.5014 (2)0.30455 (19)0.10375 (7)0.0360 (4)
H220.42090.35100.09420.043*
C230.6291 (3)0.3243 (2)0.08012 (9)0.0462 (5)
H230.63330.38330.05450.055*
C240.7490 (2)0.2568 (2)0.09442 (9)0.0454 (5)
H240.83430.27150.07890.054*
C250.7431 (2)0.1670 (2)0.13200 (8)0.0403 (5)
H250.82390.12070.14130.048*
C260.61552 (19)0.1463 (2)0.15572 (7)0.0327 (4)
H260.61140.08620.18090.039*
C310.27867 (19)0.03343 (17)0.10105 (6)0.0266 (3)
C320.1788 (2)0.0978 (2)0.07103 (7)0.0359 (4)
H320.11900.15630.08530.043*
C330.1679 (3)0.0751 (2)0.01975 (8)0.0451 (5)
H330.10100.11870.00020.054*
C340.2556 (3)0.0116 (3)0.00149 (8)0.0547 (7)
H340.24810.02680.03580.066*
C350.3539 (4)0.0756 (3)0.02779 (9)0.0629 (8)
H350.41330.13410.01330.075*
C360.3658 (3)0.0538 (2)0.07909 (8)0.0450 (5)
H360.43270.09820.09870.054*
C510.04357 (18)0.04548 (16)0.26973 (6)0.0255 (3)
C520.0447 (2)0.03692 (17)0.31024 (7)0.0298 (4)
H520.12600.08380.31820.036*
C530.0751 (2)0.0495 (2)0.33877 (8)0.0375 (4)
H530.07300.10400.36600.045*
C540.1973 (2)0.0186 (2)0.32698 (8)0.0403 (5)
H540.27770.00890.34590.048*
C550.1994 (2)0.1016 (2)0.28677 (8)0.0391 (5)
H550.28110.14810.27880.047*
C560.07939 (19)0.11489 (19)0.25840 (7)0.0323 (4)
H560.08120.17070.23160.039*
C610.27605 (18)0.21387 (16)0.30663 (6)0.0244 (3)
C620.1967 (2)0.29970 (19)0.33330 (7)0.0336 (4)
H620.12780.34880.31670.040*
C630.2200 (2)0.3121 (2)0.38468 (8)0.0429 (5)
H630.16550.36840.40250.051*
C640.3237 (2)0.2414 (2)0.40938 (7)0.0406 (5)
H640.33910.25000.44380.049*
C650.4055 (2)0.15696 (19)0.38286 (7)0.0355 (4)
H650.47630.11000.39950.043*
C660.3814 (2)0.14289 (17)0.33148 (7)0.0298 (4)
H660.43560.08620.31380.036*
C70.45636 (19)0.30697 (17)0.23683 (6)0.0281 (4)
O20.7380 (5)0.4781 (5)0.04242 (18)0.0847 (15)0.50
O30.9563 (7)0.4577 (6)0.0094 (2)0.0918 (17)0.50
C80.8461 (7)0.4248 (7)0.0392 (3)0.0639 (19)0.50
C90.8777 (10)0.3046 (7)0.0676 (3)0.086 (2)0.50
H9A0.79720.28240.08900.129*0.50
H9B0.95950.31750.08740.129*0.50
H9C0.89690.23790.04400.129*0.50
C100.9363 (11)0.5677 (10)0.0207 (4)0.109 (3)0.50
H10A0.88370.54630.04960.131*0.50
H10B0.88270.62950.00170.131*0.50
C111.0785 (12)0.6199 (14)0.0366 (4)0.115 (4)0.50
H11A1.06490.69350.05670.173*0.50
H11B1.13130.55820.05590.173*0.50
H11C1.13030.64210.00760.173*0.50
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
O10.0290 (7)0.0501 (9)0.0345 (7)0.0139 (6)0.0001 (5)0.0057 (6)
N10.0217 (6)0.0242 (7)0.0250 (7)0.0043 (5)0.0025 (5)0.0028 (5)
N20.0429 (10)0.0480 (11)0.0360 (9)0.0228 (8)0.0055 (7)0.0085 (8)
C20.0222 (7)0.0225 (8)0.0245 (7)0.0003 (6)0.0003 (6)0.0006 (6)
C30.0214 (7)0.0221 (7)0.0249 (7)0.0007 (6)0.0007 (6)0.0008 (6)
C40.0244 (8)0.0219 (8)0.0284 (8)0.0012 (6)0.0017 (6)0.0003 (6)
C50.0216 (7)0.0203 (7)0.0264 (8)0.0004 (6)0.0007 (6)0.0006 (6)
C60.0212 (7)0.0215 (7)0.0256 (7)0.0002 (6)0.0031 (6)0.0005 (6)
C210.0262 (8)0.0263 (8)0.0251 (8)0.0023 (6)0.0036 (6)0.0046 (6)
C220.0438 (11)0.0288 (9)0.0359 (10)0.0009 (8)0.0110 (8)0.0012 (7)
C230.0567 (14)0.0377 (11)0.0457 (12)0.0075 (10)0.0231 (10)0.0007 (9)
C240.0377 (11)0.0523 (13)0.0474 (12)0.0138 (10)0.0189 (9)0.0169 (10)
C250.0246 (9)0.0552 (13)0.0409 (10)0.0006 (9)0.0009 (8)0.0149 (9)
C260.0269 (9)0.0413 (10)0.0299 (9)0.0001 (8)0.0005 (7)0.0043 (8)
C310.0277 (8)0.0264 (8)0.0256 (8)0.0039 (7)0.0003 (6)0.0017 (6)
C320.0371 (10)0.0387 (10)0.0314 (9)0.0021 (8)0.0040 (7)0.0003 (8)
C330.0563 (13)0.0468 (12)0.0310 (10)0.0046 (10)0.0114 (9)0.0048 (9)
C340.0864 (19)0.0522 (14)0.0254 (9)0.0033 (13)0.0005 (11)0.0064 (9)
C350.091 (2)0.0616 (17)0.0362 (12)0.0231 (15)0.0075 (12)0.0152 (11)
C360.0550 (13)0.0459 (12)0.0338 (10)0.0181 (10)0.0005 (9)0.0081 (9)
C510.0242 (8)0.0261 (8)0.0262 (8)0.0042 (6)0.0004 (6)0.0016 (6)
C520.0298 (9)0.0268 (8)0.0325 (9)0.0056 (7)0.0014 (7)0.0023 (7)
C530.0396 (10)0.0386 (11)0.0343 (9)0.0132 (9)0.0024 (8)0.0055 (8)
C540.0308 (9)0.0517 (13)0.0390 (10)0.0113 (9)0.0095 (8)0.0007 (9)
C550.0244 (9)0.0514 (12)0.0417 (11)0.0014 (8)0.0024 (8)0.0012 (9)
C560.0271 (9)0.0383 (10)0.0317 (9)0.0007 (7)0.0016 (7)0.0045 (7)
C610.0244 (8)0.0230 (8)0.0262 (8)0.0026 (6)0.0038 (6)0.0020 (6)
C620.0342 (9)0.0323 (9)0.0346 (9)0.0040 (8)0.0046 (7)0.0054 (7)
C630.0479 (12)0.0451 (12)0.0363 (10)0.0019 (10)0.0097 (9)0.0131 (9)
C640.0493 (12)0.0468 (12)0.0258 (9)0.0106 (10)0.0037 (8)0.0065 (8)
C650.0380 (10)0.0341 (10)0.0339 (9)0.0037 (8)0.0056 (8)0.0028 (8)
C660.0319 (9)0.0272 (9)0.0304 (9)0.0001 (7)0.0016 (7)0.0020 (7)
C70.0296 (8)0.0293 (9)0.0258 (8)0.0039 (7)0.0043 (6)0.0010 (7)
O20.079 (3)0.098 (4)0.077 (3)0.039 (3)0.003 (2)0.004 (3)
O30.068 (4)0.102 (5)0.106 (5)0.030 (3)0.001 (3)0.001 (4)
C80.056 (3)0.073 (4)0.064 (4)0.025 (3)0.019 (3)0.035 (3)
C90.104 (6)0.062 (4)0.094 (5)0.024 (4)0.020 (5)0.025 (4)
C100.101 (7)0.109 (7)0.117 (7)0.007 (6)0.006 (6)0.007 (6)
C110.130 (11)0.133 (11)0.083 (7)0.028 (9)0.010 (7)0.039 (7)
Geometric parameters (Å, º) top
O1—C41.209 (2)C52—H520.9300
N1—C71.342 (2)C53—C541.382 (3)
N1—C61.489 (2)C53—H530.9300
N1—C21.490 (2)C54—C551.389 (3)
N2—C71.145 (2)C54—H540.9300
C2—C211.513 (2)C55—C561.390 (3)
C2—C31.553 (2)C55—H550.9300
C2—H20.9800C56—H560.9300
C3—C311.512 (2)C61—C621.392 (2)
C3—C41.526 (2)C61—C661.392 (3)
C3—H30.9800C62—C631.388 (3)
C4—C51.521 (2)C62—H620.9300
C5—C511.512 (2)C63—C641.378 (3)
C5—C61.556 (2)C63—H630.9300
C5—H50.9800C64—C651.393 (3)
C6—C611.514 (2)C64—H640.9300
C6—H60.9800C65—C661.391 (3)
C21—C261.393 (3)C65—H650.9300
C21—C221.394 (3)C66—H660.9300
C22—C231.392 (3)O2—C81.162 (7)
C22—H220.9300O3—C10i1.098 (10)
C23—C241.376 (4)O3—C11i1.139 (14)
C23—H230.9300O3—O3i1.303 (14)
C24—C251.388 (4)O3—C81.328 (11)
C24—H240.9300O3—C101.434 (12)
C25—C261.394 (3)C8—C11i0.853 (13)
C25—H250.9300C8—C91.521 (12)
C26—H260.9300C9—C11i1.214 (15)
C31—C361.382 (3)C9—H9A0.9600
C31—C321.389 (3)C9—H9B0.9599
C32—C331.391 (3)C9—H9C0.9600
C32—H320.9300C10—O3i1.098 (10)
C33—C341.373 (4)C10—C111.492 (9)
C33—H330.9300C10—H10A0.9599
C34—C351.368 (4)C10—H10B0.9599
C34—H340.9300C11—C8i0.853 (13)
C35—C361.391 (3)C11—O3i1.139 (14)
C35—H350.9300C11—C9i1.214 (15)
C36—H360.9300C11—H11A0.9601
C51—C521.392 (2)C11—H11B0.9601
C51—C561.393 (3)C11—H11C0.9600
C52—C531.389 (3)
C7—N1—C6114.26 (13)C31—C36—C35120.3 (2)
C7—N1—C2115.44 (13)C31—C36—H36119.9
C6—N1—C2116.36 (13)C35—C36—H36119.9
N1—C2—C21110.59 (13)C52—C51—C56118.88 (16)
N1—C2—C3108.17 (13)C52—C51—C5119.26 (16)
C21—C2—C3111.72 (13)C56—C51—C5121.77 (16)
N1—C2—H2108.8C53—C52—C51120.36 (18)
C21—C2—H2108.8C53—C52—H52119.8
C3—C2—H2108.8C51—C52—H52119.8
C31—C3—C4113.82 (14)C54—C53—C52120.48 (18)
C31—C3—C2110.99 (14)C54—C53—H53119.8
C4—C3—C2109.04 (13)C52—C53—H53119.8
C31—C3—H3107.6C53—C54—C55119.65 (18)
C4—C3—H3107.6C53—C54—H54120.2
C2—C3—H3107.6C55—C54—H54120.2
O1—C4—C5123.26 (15)C54—C55—C56119.96 (19)
O1—C4—C3122.81 (15)C54—C55—H55120.0
C5—C4—C3113.92 (13)C56—C55—H55120.0
C51—C5—C4114.56 (13)C55—C56—C51120.67 (18)
C51—C5—C6110.19 (13)C55—C56—H56119.7
C4—C5—C6109.95 (13)C51—C56—H56119.7
C51—C5—H5107.3C62—C61—C66119.70 (16)
C4—C5—H5107.3C62—C61—C6118.99 (16)
C6—C5—H5107.3C66—C61—C6121.26 (15)
N1—C6—C61110.61 (13)C63—C62—C61120.13 (19)
N1—C6—C5108.82 (13)C63—C62—H62119.9
C61—C6—C5110.47 (13)C61—C62—H62119.9
N1—C6—H6109.0C64—C63—C62120.21 (19)
C61—C6—H6109.0C64—C63—H63119.9
C5—C6—H6109.0C62—C63—H63119.9
C26—C21—C22119.38 (17)C63—C64—C65120.07 (18)
C26—C21—C2121.00 (16)C63—C64—H64120.0
C22—C21—C2119.61 (16)C65—C64—H64120.0
C23—C22—C21120.0 (2)C66—C65—C64119.99 (19)
C23—C22—H22120.0C66—C65—H65120.0
C21—C22—H22120.0C64—C65—H65120.0
C24—C23—C22120.4 (2)C65—C66—C61119.88 (17)
C24—C23—H23119.8C65—C66—H66120.1
C22—C23—H23119.8C61—C66—H66120.1
C23—C24—C25120.24 (19)N2—C7—N1176.6 (2)
C23—C24—H24119.9C8—O3—C10115.7 (7)
C25—C24—H24119.9O2—C8—O3125.1 (8)
C24—C25—C26119.8 (2)O2—C8—C9123.9 (8)
C24—C25—H25120.1O3—C8—C9111.0 (6)
C26—C25—H25120.1C8—C9—H9A109.9
C21—C26—C25120.23 (19)C8—C9—H9B109.3
C21—C26—H26119.9H9A—C9—H9B109.5
C25—C26—H26119.9C8—C9—H9C109.2
C36—C31—C32118.79 (17)H9A—C9—H9C109.5
C36—C31—C3119.46 (16)H9B—C9—H9C109.5
C32—C31—C3121.74 (16)O3—C10—C11109.1 (11)
C31—C32—C33120.4 (2)O3—C10—H10A109.9
C31—C32—H32119.8C11—C10—H10A110.0
C33—C32—H32119.8O3—C10—H10B109.8
C34—C33—C32120.1 (2)C11—C10—H10B109.9
C34—C33—H33120.0H10A—C10—H10B108.2
C32—C33—H33120.0C10—C11—H11A108.9
C35—C34—C33120.0 (2)C10—C11—H11B109.7
C35—C34—H34120.0H11A—C11—H11B109.5
C33—C34—H34120.0C10—C11—H11C109.8
C34—C35—C36120.5 (2)H11A—C11—H11C109.5
C34—C35—H35119.7H11B—C11—H11C109.5
C36—C35—H35119.7
C7—N1—C2—C2140.0 (2)C2—C3—C31—C3266.5 (2)
C6—N1—C2—C21178.07 (14)C36—C31—C32—C330.5 (3)
C7—N1—C2—C3162.67 (14)C3—C31—C32—C33178.20 (18)
C6—N1—C2—C359.28 (17)C31—C32—C33—C340.2 (3)
N1—C2—C3—C31178.71 (13)C32—C33—C34—C350.1 (4)
C21—C2—C3—C3156.75 (18)C33—C34—C35—C360.1 (5)
N1—C2—C3—C455.14 (16)C32—C31—C36—C350.5 (4)
C21—C2—C3—C4177.10 (13)C3—C31—C36—C35178.2 (2)
C31—C3—C4—O10.5 (2)C34—C35—C36—C310.3 (5)
C2—C3—C4—O1124.05 (18)C4—C5—C51—C52125.65 (17)
C31—C3—C4—C5178.70 (14)C6—C5—C51—C52109.76 (18)
C2—C3—C4—C556.80 (18)C4—C5—C51—C5657.9 (2)
O1—C4—C5—C511.0 (2)C6—C5—C51—C5666.7 (2)
C3—C4—C5—C51179.87 (14)C56—C51—C52—C530.0 (3)
O1—C4—C5—C6125.70 (18)C5—C51—C52—C53176.58 (16)
C3—C4—C5—C655.15 (18)C51—C52—C53—C540.7 (3)
C7—N1—C6—C6142.45 (19)C52—C53—C54—C551.0 (3)
C2—N1—C6—C61179.02 (13)C53—C54—C55—C560.5 (3)
C7—N1—C6—C5163.98 (14)C54—C55—C56—C510.2 (3)
C2—N1—C6—C557.49 (18)C52—C51—C56—C550.5 (3)
C51—C5—C6—N1179.14 (13)C5—C51—C56—C55176.94 (18)
C4—C5—C6—N151.94 (17)N1—C6—C61—C62127.54 (17)
C51—C5—C6—C6159.25 (17)C5—C6—C61—C62111.91 (18)
C4—C5—C6—C61173.55 (13)N1—C6—C61—C6654.9 (2)
N1—C2—C21—C2656.7 (2)C5—C6—C61—C6665.7 (2)
C3—C2—C21—C2663.9 (2)C66—C61—C62—C631.6 (3)
N1—C2—C21—C22124.17 (17)C6—C61—C62—C63175.97 (18)
C3—C2—C21—C22115.27 (18)C61—C62—C63—C641.3 (3)
C26—C21—C22—C230.1 (3)C62—C63—C64—C650.0 (3)
C2—C21—C22—C23179.22 (18)C63—C64—C65—C660.8 (3)
C21—C22—C23—C240.6 (3)C64—C65—C66—C610.4 (3)
C22—C23—C24—C251.1 (3)C62—C61—C66—C650.8 (3)
C23—C24—C25—C260.8 (3)C6—C61—C66—C65176.74 (16)
C22—C21—C26—C250.3 (3)C6—N1—C7—N291 (3)
C2—C21—C26—C25179.45 (17)C2—N1—C7—N2130 (3)
C24—C25—C26—C210.1 (3)C10—O3—C8—O20.1 (11)
C4—C3—C31—C36124.4 (2)C10—O3—C8—C9177.8 (7)
C2—C3—C31—C36112.2 (2)C8—O3—C10—C11158.9 (8)
C4—C3—C31—C3257.0 (2)
Symmetry code: (i) x+2, y+1, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C3—H3···N2ii0.982.573.433 (2)147
C5—H5···N2ii0.982.423.317 (2)152
C25—H25···O1iii0.932.473.399 (3)176
C62—H62···O1iv0.932.443.203 (2)139
Symmetry codes: (ii) x+1, y1/2, z+1/2; (iii) x+1, y, z; (iv) x, y+1/2, z+1/2.
 

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