Download citation
Download citation
link to html
The asymmetric unit of the title compound, C18H17FN2O2S, contains two independent mol­ecules related by a pseudo-inversion centre. The mol­ecular packing is stabilized by C—H...O and C—H...π inter­actions.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806027991/ci2111sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806027991/ci2111Isup2.hkl
Contains datablock I

CCDC reference: 618170

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.061
  • wR factor = 0.150
  • Data-to-parameter ratio = 18.1

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT242_ALERT_2_A Check Low Ueq as Compared to Neighbors for C16
Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.71 Ratio
Alert level C PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.97 PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 4.00 Ratio PLAT322_ALERT_2_C Check Hybridisation of S1 in Main Residue . ? PLAT322_ALERT_2_C Check Hybridisation of S2 in Main Residue . ?
Alert level G PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K
1 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 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 0 ALERT type 5 Informative message, check

Computing details top

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

2-(1,3-Benzothiazol-2-yloxy)-N-(4-fluorophenyl)-N-isopropylacetamide top
Crystal data top
C18H17FN2O2SF(000) = 1440
Mr = 344.40Dx = 1.337 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 14205 reflections
a = 17.747 (2) Åθ = 3.1–27.5°
b = 15.266 (2) ŵ = 0.21 mm1
c = 13.299 (1) ÅT = 293 K
β = 108.243 (6)°Block, colourless
V = 3422.1 (7) Å30.4 × 0.3 × 0.2 mm
Z = 8
Data collection top
Rigaku R-AXIS RAPID IP
diffractometer
7827 independent reflections
Radiation source: fine-focus sealed tube4363 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.066
ω scansθmax = 27.5°, θmin = 3.1°
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
h = 2323
Tmin = 0.909, Tmax = 0.992k = 1919
32053 measured reflectionsl = 1617
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)] = 0.061Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.150H-atom parameters constrained
S = 1.01 w = 1/[σ2(Fo2) + (0.0687P)2 + 0.4362P]
where P = (Fo2 + 2Fc2)/3
7827 reflections(Δ/σ)max = 0.001
433 parametersΔρmax = 0.17 e Å3
0 restraintsΔρmin = 0.13 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
S10.25902 (5)0.76008 (5)0.98750 (7)0.0660 (2)
S20.24274 (4)0.98364 (5)0.01585 (5)0.04754 (19)
F10.11615 (11)0.97715 (11)0.38931 (14)0.0750 (5)
F20.59917 (11)0.79028 (13)0.58494 (14)0.0823 (6)
N10.32557 (14)0.71301 (15)0.84528 (18)0.0527 (6)
N20.43945 (13)1.00847 (14)0.78043 (16)0.0485 (5)
N30.14873 (13)1.03699 (15)0.12088 (16)0.0487 (5)
N40.04102 (12)0.74454 (13)0.20820 (16)0.0427 (5)
O10.32362 (14)0.86256 (13)0.88185 (18)0.0777 (7)
O20.35013 (17)1.02617 (15)0.8673 (2)0.1043 (10)
O30.15753 (11)0.88568 (12)0.09778 (14)0.0558 (5)
O40.12811 (13)0.72211 (13)0.11743 (16)0.0672 (6)
C10.29738 (14)0.63757 (17)0.8807 (2)0.0456 (6)
C20.30419 (17)0.55337 (19)0.8449 (2)0.0573 (7)
H20.32950.54350.79430.069*
C30.27276 (18)0.48494 (19)0.8858 (2)0.0622 (8)
H30.27650.42840.86180.075*
C40.23560 (16)0.49838 (19)0.9622 (2)0.0585 (7)
H40.21530.45070.98890.070*
C50.22840 (15)0.58090 (19)0.9989 (2)0.0520 (7)
H50.20340.59011.04990.062*
C60.25958 (14)0.64989 (17)0.9573 (2)0.0456 (6)
C70.30795 (17)0.77832 (19)0.8938 (2)0.0569 (7)
C80.3678 (2)0.8809 (2)0.8115 (3)0.0728 (9)
H8A0.33730.86620.73920.087*
H8B0.41690.84780.83110.087*
C90.3845 (2)0.9787 (2)0.8225 (2)0.0652 (8)
C100.48092 (15)0.95077 (17)0.73033 (19)0.0431 (6)
C110.55322 (16)0.91574 (18)0.7871 (2)0.0502 (7)
H110.57510.92850.85870.060*
C120.59320 (17)0.86185 (19)0.7381 (2)0.0570 (7)
H120.64220.83810.77580.068*
C130.55949 (17)0.8439 (2)0.6328 (2)0.0556 (7)
C140.48840 (17)0.8770 (2)0.5750 (2)0.0604 (8)
H140.46670.86350.50360.073*
C150.44908 (16)0.9310 (2)0.6244 (2)0.0547 (7)
H150.40020.95450.58580.066*
C160.45913 (18)1.10286 (18)0.7890 (2)0.0586 (7)
H160.41441.13420.80050.070*
C170.5301 (3)1.1187 (3)0.8826 (4)0.160 (3)
H17A0.52091.09550.94480.240*
H17B0.53971.18060.89130.240*
H17C0.57531.09040.87220.240*
C180.4710 (4)1.1383 (3)0.6906 (4)0.137 (2)
H18A0.42441.12750.63150.206*
H18B0.51581.11000.67870.206*
H18C0.48051.20020.69810.206*
C190.18382 (15)1.11098 (18)0.09317 (19)0.0449 (6)
C200.17215 (18)1.1962 (2)0.1197 (2)0.0612 (8)
H200.13861.20830.15940.073*
C210.21071 (19)1.2628 (2)0.0869 (3)0.0666 (8)
H210.20321.32010.10540.080*
C220.26048 (17)1.24692 (19)0.0271 (2)0.0569 (7)
H220.28511.29350.00480.068*
C230.27375 (15)1.16284 (19)0.0003 (2)0.0476 (6)
H230.30731.15160.03960.057*
C240.23577 (14)1.09528 (16)0.03448 (18)0.0394 (6)
C250.17558 (15)0.96911 (18)0.08679 (19)0.0452 (6)
C260.10262 (17)0.87041 (18)0.1553 (2)0.0531 (7)
H26A0.05220.89860.12020.064*
H26B0.12340.89340.22660.064*
C270.09215 (15)0.77175 (17)0.15768 (19)0.0453 (6)
C280.00025 (14)0.80560 (17)0.25434 (18)0.0395 (6)
C290.07352 (15)0.83726 (17)0.19655 (19)0.0463 (6)
H290.09650.81960.12670.056*
C300.11324 (17)0.89546 (18)0.2421 (2)0.0532 (7)
H300.16300.91700.20390.064*
C310.07752 (17)0.92028 (18)0.3445 (2)0.0505 (7)
C320.00530 (17)0.88983 (19)0.4038 (2)0.0552 (7)
H320.01730.90800.47360.066*
C330.03340 (15)0.83177 (18)0.35843 (19)0.0487 (7)
H330.08270.80980.39790.058*
C340.02726 (16)0.64950 (17)0.2173 (2)0.0499 (6)
H340.06200.61790.18520.060*
C350.05667 (17)0.62472 (19)0.1583 (2)0.0639 (8)
H35A0.06920.64270.08570.096*
H35B0.09190.65320.18990.096*
H35c0.06270.56240.16140.096*
C360.0492 (2)0.6214 (2)0.3328 (3)0.0826 (11)
H36A0.10320.63720.36890.124*
H36B0.04320.55910.33650.124*
H36C0.01490.65010.36570.124*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
S10.0791 (5)0.0427 (4)0.1034 (6)0.0051 (4)0.0676 (5)0.0035 (4)
S20.0508 (4)0.0428 (4)0.0600 (4)0.0040 (3)0.0333 (3)0.0049 (3)
F10.0981 (13)0.0576 (12)0.0892 (12)0.0100 (10)0.0580 (11)0.0135 (9)
F20.0810 (13)0.0841 (15)0.1005 (14)0.0152 (11)0.0555 (11)0.0136 (11)
N10.0574 (14)0.0443 (14)0.0674 (14)0.0019 (11)0.0355 (12)0.0015 (11)
N20.0533 (13)0.0395 (13)0.0621 (13)0.0005 (10)0.0317 (11)0.0009 (10)
N30.0564 (14)0.0423 (14)0.0582 (13)0.0004 (11)0.0335 (11)0.0007 (10)
N40.0439 (11)0.0358 (12)0.0544 (12)0.0026 (9)0.0238 (10)0.0040 (9)
O10.1065 (17)0.0425 (13)0.1222 (18)0.0094 (12)0.0906 (15)0.0024 (11)
O20.150 (2)0.0477 (14)0.174 (2)0.0071 (15)0.135 (2)0.0097 (15)
O30.0697 (12)0.0437 (12)0.0729 (12)0.0101 (9)0.0496 (10)0.0075 (9)
O40.0791 (14)0.0491 (13)0.0956 (15)0.0049 (11)0.0594 (13)0.0121 (11)
C10.0371 (13)0.0420 (16)0.0584 (16)0.0021 (12)0.0161 (12)0.0011 (12)
C20.0618 (18)0.0489 (19)0.0655 (18)0.0049 (14)0.0264 (15)0.0072 (13)
C30.0657 (19)0.0410 (17)0.080 (2)0.0074 (15)0.0233 (16)0.0066 (14)
C40.0493 (16)0.0450 (18)0.082 (2)0.0075 (13)0.0222 (15)0.0076 (14)
C50.0424 (15)0.0462 (18)0.0733 (18)0.0014 (13)0.0268 (13)0.0093 (13)
C60.0347 (13)0.0409 (15)0.0650 (16)0.0019 (11)0.0210 (12)0.0012 (12)
C70.0611 (18)0.0458 (18)0.081 (2)0.0037 (14)0.0464 (16)0.0031 (14)
C80.098 (2)0.048 (2)0.103 (2)0.0076 (17)0.075 (2)0.0017 (16)
C90.085 (2)0.0456 (18)0.090 (2)0.0013 (16)0.0628 (18)0.0003 (15)
C100.0426 (14)0.0419 (17)0.0512 (16)0.0039 (12)0.0241 (12)0.0015 (11)
C110.0512 (16)0.0498 (18)0.0496 (15)0.0006 (13)0.0158 (13)0.0021 (12)
C120.0484 (16)0.0543 (19)0.0707 (19)0.0097 (14)0.0220 (14)0.0058 (14)
C130.0531 (17)0.0535 (18)0.073 (2)0.0021 (14)0.0381 (15)0.0048 (14)
C140.0549 (17)0.078 (2)0.0528 (16)0.0004 (16)0.0236 (14)0.0082 (14)
C150.0427 (15)0.066 (2)0.0575 (17)0.0044 (14)0.0183 (13)0.0013 (14)
C160.0646 (18)0.0355 (16)0.086 (2)0.0003 (14)0.0391 (16)0.0042 (14)
C170.124 (4)0.065 (3)0.228 (6)0.012 (3)0.036 (4)0.029 (3)
C180.229 (6)0.064 (3)0.172 (4)0.018 (3)0.139 (4)0.039 (3)
C190.0473 (15)0.0437 (16)0.0499 (15)0.0037 (12)0.0238 (12)0.0048 (11)
C200.073 (2)0.0484 (19)0.081 (2)0.0094 (15)0.0502 (17)0.0045 (14)
C210.080 (2)0.0401 (17)0.096 (2)0.0118 (15)0.0517 (19)0.0096 (15)
C220.0615 (18)0.0432 (17)0.0764 (19)0.0028 (14)0.0368 (16)0.0127 (14)
C230.0415 (14)0.0507 (17)0.0563 (16)0.0027 (12)0.0238 (12)0.0078 (12)
C240.0370 (13)0.0406 (15)0.0421 (13)0.0023 (11)0.0147 (11)0.0021 (10)
C250.0482 (15)0.0459 (17)0.0487 (14)0.0046 (13)0.0254 (12)0.0002 (12)
C260.0620 (17)0.0451 (17)0.0661 (17)0.0063 (13)0.0402 (15)0.0046 (13)
C270.0485 (15)0.0421 (16)0.0512 (15)0.0042 (12)0.0241 (12)0.0058 (11)
C280.0422 (14)0.0365 (16)0.0461 (14)0.0050 (11)0.0228 (12)0.0021 (10)
C290.0513 (15)0.0455 (16)0.0432 (14)0.0018 (13)0.0163 (12)0.0023 (11)
C300.0549 (16)0.0465 (17)0.0603 (17)0.0112 (13)0.0212 (14)0.0047 (13)
C310.0668 (18)0.0389 (16)0.0602 (18)0.0009 (14)0.0406 (15)0.0043 (12)
C320.0638 (19)0.0580 (19)0.0481 (16)0.0095 (15)0.0235 (14)0.0110 (13)
C330.0455 (15)0.0533 (18)0.0482 (15)0.0051 (13)0.0159 (12)0.0041 (12)
C340.0514 (16)0.0341 (15)0.0714 (18)0.0019 (12)0.0297 (14)0.0013 (12)
C350.0657 (19)0.052 (2)0.077 (2)0.0179 (15)0.0266 (16)0.0158 (15)
C360.093 (3)0.055 (2)0.086 (2)0.0026 (18)0.0077 (19)0.0205 (17)
Geometric parameters (Å, º) top
S1—C61.730 (3)C14—H140.93
S1—C71.749 (3)C15—H150.93
S2—C241.732 (3)C16—C171.487 (5)
S2—C251.751 (2)C16—C181.492 (4)
F1—C311.355 (3)C16—H160.98
F2—C131.361 (3)C17—H17A0.96
N1—C71.279 (3)C17—H17B0.96
N1—C11.395 (3)C17—H17C0.96
N2—C91.346 (3)C18—H18A0.96
N2—C101.438 (3)C18—H18B0.96
N2—C161.479 (3)C18—H18C0.96
N3—C251.281 (3)C19—C201.381 (4)
N3—C191.394 (3)C19—C241.403 (3)
N4—C271.352 (3)C20—C211.371 (4)
N4—C281.436 (3)C20—H200.93
N4—C341.483 (3)C21—C221.383 (4)
O1—C71.336 (3)C21—H210.93
O1—C81.424 (3)C22—C231.372 (4)
O2—C91.217 (3)C22—H220.93
O3—C251.332 (3)C23—C241.384 (4)
O3—C261.434 (3)C23—H230.93
O4—C271.217 (3)C26—C271.519 (4)
C1—C21.389 (4)C26—H26A0.97
C1—C61.397 (4)C26—H26B0.97
C2—C31.374 (4)C28—C291.375 (3)
C2—H20.93C28—C331.384 (3)
C3—C41.389 (4)C29—C301.386 (3)
C3—H30.93C29—H290.93
C4—C51.371 (4)C30—C311.363 (4)
C4—H40.93C30—H300.93
C5—C61.383 (4)C31—C321.360 (4)
C5—H50.93C32—C331.372 (4)
C8—C91.520 (4)C32—H320.93
C8—H8A0.97C33—H330.93
C8—H8B0.97C34—C351.499 (4)
C10—C151.377 (3)C34—C361.523 (4)
C10—C111.377 (3)C34—H340.98
C11—C121.376 (4)C35—H35A0.96
C11—H110.93C35—H35B0.96
C12—C131.367 (4)C35—H35c0.96
C12—H120.93C36—H36A0.96
C13—C141.353 (4)C36—H36B0.96
C14—C151.373 (4)C36—H36C0.96
C6—S1—C787.10 (13)C16—C18—H18A109.5
C24—S2—C2587.50 (12)C16—C18—H18B109.5
C7—N1—C1107.6 (2)H18A—C18—H18B109.5
C9—N2—C10121.8 (2)C16—C18—H18C109.5
C9—N2—C16118.8 (2)H18A—C18—H18C109.5
C10—N2—C16119.3 (2)H18B—C18—H18C109.5
C25—N3—C19108.4 (2)C20—C19—N3125.5 (2)
C27—N4—C28121.6 (2)C20—C19—C24118.7 (2)
C27—N4—C34119.6 (2)N3—C19—C24115.8 (2)
C28—N4—C34118.8 (2)C21—C20—C19119.2 (3)
C7—O1—C8116.5 (2)C21—C20—H20120.4
C25—O3—C26116.2 (2)C19—C20—H20120.4
C2—C1—N1124.7 (3)C20—C21—C22121.7 (3)
C2—C1—C6119.2 (3)C20—C21—H21119.1
N1—C1—C6116.1 (2)C22—C21—H21119.1
C3—C2—C1118.6 (3)C23—C22—C21120.4 (3)
C3—C2—H2120.7C23—C22—H22119.8
C1—C2—H2120.7C21—C22—H22119.8
C2—C3—C4121.5 (3)C22—C23—C24118.1 (3)
C2—C3—H3119.3C22—C23—H23120.9
C4—C3—H3119.3C24—C23—H23120.9
C5—C4—C3121.0 (3)C23—C24—C19121.9 (2)
C5—C4—H4119.5C23—C24—S2128.5 (2)
C3—C4—H4119.5C19—C24—S2109.67 (19)
C4—C5—C6117.6 (3)N3—C25—O3127.3 (2)
C4—C5—H5121.2N3—C25—S2118.7 (2)
C6—C5—H5121.2O3—C25—S2114.07 (19)
C5—C6—C1122.2 (3)O3—C26—C27106.3 (2)
C5—C6—S1128.0 (2)O3—C26—H26A110.5
C1—C6—S1109.8 (2)C27—C26—H26A110.5
N1—C7—O1126.7 (3)O3—C26—H26B110.5
N1—C7—S1119.3 (2)C27—C26—H26B110.5
O1—C7—S1114.0 (2)H26A—C26—H26B108.7
O1—C8—C9105.1 (2)O4—C27—N4123.6 (2)
O1—C8—H8A110.7O4—C27—C26121.6 (2)
C9—C8—H8A110.7N4—C27—C26114.9 (2)
O1—C8—H8B110.7C29—C28—C33119.6 (2)
C9—C8—H8B110.7C29—C28—N4120.6 (2)
H8A—C8—H8B108.8C33—C28—N4119.8 (2)
O2—C9—N2122.8 (3)C28—C29—C30120.2 (2)
O2—C9—C8121.3 (3)C28—C29—H29119.9
N2—C9—C8115.9 (2)C30—C29—H29119.9
C15—C10—C11119.3 (3)C31—C30—C29118.3 (3)
C15—C10—N2120.2 (2)C31—C30—H30120.9
C11—C10—N2120.6 (2)C29—C30—H30120.9
C12—C11—C10120.2 (3)F1—C31—C32118.6 (2)
C12—C11—H11119.9F1—C31—C30118.4 (3)
C10—C11—H11119.9C32—C31—C30122.9 (3)
C13—C12—C11118.6 (3)C31—C32—C33118.5 (2)
C13—C12—H12120.7C31—C32—H32120.8
C11—C12—H12120.7C33—C32—H32120.8
C14—C13—F2119.1 (3)C32—C33—C28120.5 (3)
C14—C13—C12122.6 (3)C32—C33—H33119.7
F2—C13—C12118.4 (3)C28—C33—H33119.7
C13—C14—C15118.4 (3)N4—C34—C35111.5 (2)
C13—C14—H14120.8N4—C34—C36111.2 (2)
C15—C14—H14120.8C35—C34—C36110.8 (2)
C14—C15—C10120.9 (3)N4—C34—H34107.7
C14—C15—H15119.5C35—C34—H34107.7
C10—C15—H15119.5C36—C34—H34107.7
N2—C16—C17109.9 (3)C34—C35—H35A109.5
N2—C16—C18112.4 (3)C34—C35—H35B109.5
C17—C16—C18111.1 (4)H35A—C35—H35B109.5
N2—C16—H16107.7C34—C35—H35c109.5
C17—C16—H16107.7H35A—C35—H35c109.5
C18—C16—H16107.7H35B—C35—H35c109.5
C16—C17—H17A109.5C34—C36—H36A109.5
C16—C17—H17B109.5C34—C36—H36B109.5
H17A—C17—H17B109.5H36A—C36—H36B109.5
C16—C17—H17C109.5C34—C36—H36C109.5
H17A—C17—H17C109.5H36A—C36—H36C109.5
H17B—C17—H17C109.5H36B—C36—H36C109.5
C7—N1—C1—C2179.0 (3)C25—N3—C19—C20177.3 (3)
C7—N1—C1—C60.7 (3)C25—N3—C19—C241.9 (3)
N1—C1—C2—C3179.2 (3)N3—C19—C20—C21180.0 (3)
C6—C1—C2—C30.5 (4)C24—C19—C20—C210.9 (4)
C1—C2—C3—C40.7 (4)C19—C20—C21—C220.6 (5)
C2—C3—C4—C50.6 (5)C20—C21—C22—C231.2 (5)
C3—C4—C5—C60.2 (4)C21—C22—C23—C240.3 (4)
C4—C5—C6—C10.0 (4)C22—C23—C24—C191.2 (4)
C4—C5—C6—S1179.7 (2)C22—C23—C24—S2178.3 (2)
C2—C1—C6—C50.1 (4)C20—C19—C24—C231.8 (4)
N1—C1—C6—C5179.6 (2)N3—C19—C24—C23179.0 (2)
C2—C1—C6—S1179.9 (2)C20—C19—C24—S2177.8 (2)
N1—C1—C6—S10.2 (3)N3—C19—C24—S21.4 (3)
C7—S1—C6—C5179.0 (3)C25—S2—C24—C23180.0 (2)
C7—S1—C6—C10.7 (2)C25—S2—C24—C190.42 (18)
C1—N1—C7—O1179.2 (3)C19—N3—C25—O3179.3 (2)
C1—N1—C7—S11.4 (3)C19—N3—C25—S21.6 (3)
C8—O1—C7—N13.2 (5)C26—O3—C25—N30.8 (4)
C8—O1—C7—S1176.2 (2)C26—O3—C25—S2179.94 (18)
C6—S1—C7—N11.3 (3)C24—S2—C25—N30.7 (2)
C6—S1—C7—O1179.2 (2)C24—S2—C25—O3179.94 (19)
C7—O1—C8—C9173.9 (3)C25—O3—C26—C27179.6 (2)
C10—N2—C9—O2178.3 (3)C28—N4—C27—O4179.9 (2)
C16—N2—C9—O20.1 (5)C34—N4—C27—O40.6 (4)
C10—N2—C9—C81.4 (4)C28—N4—C27—C260.7 (3)
C16—N2—C9—C8179.5 (3)C34—N4—C27—C26178.8 (2)
O1—C8—C9—O213.0 (5)O3—C26—C27—O41.3 (3)
O1—C8—C9—N2166.7 (3)O3—C26—C27—N4179.3 (2)
C9—N2—C10—C1587.4 (3)C27—N4—C28—C2990.9 (3)
C16—N2—C10—C1594.4 (3)C34—N4—C28—C2989.5 (3)
C9—N2—C10—C1193.5 (3)C27—N4—C28—C3390.1 (3)
C16—N2—C10—C1184.6 (3)C34—N4—C28—C3389.4 (3)
C15—C10—C11—C120.3 (4)C33—C28—C29—C300.4 (4)
N2—C10—C11—C12178.8 (2)N4—C28—C29—C30179.3 (2)
C10—C11—C12—C130.2 (4)C28—C29—C30—C310.4 (4)
C11—C12—C13—C140.0 (5)C29—C30—C31—F1180.0 (2)
C11—C12—C13—F2179.7 (3)C29—C30—C31—C320.7 (4)
F2—C13—C14—C15180.0 (3)F1—C31—C32—C33179.5 (2)
C12—C13—C14—C150.3 (5)C30—C31—C32—C330.2 (4)
C13—C14—C15—C100.3 (5)C31—C32—C33—C280.6 (4)
C11—C10—C15—C140.0 (4)C29—C28—C33—C320.9 (4)
N2—C10—C15—C14179.1 (3)N4—C28—C33—C32179.8 (2)
C9—N2—C16—C1795.3 (4)C27—N4—C34—C35115.4 (3)
C10—N2—C16—C1782.9 (4)C28—N4—C34—C3565.0 (3)
C9—N2—C16—C18140.4 (4)C27—N4—C34—C36120.3 (3)
C10—N2—C16—C1841.4 (4)C28—N4—C34—C3659.2 (3)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C23—H23···O2i0.932.523.289 (4)140
C12—H12···Cg1ii0.932.703.573 (3)156
C15—H15···Cg2iii0.932.703.509 (3)146
C29—H29···Cg1iv0.932.783.617 (3)151
Symmetry codes: (i) x, y, z1; (ii) x+1, y+2, z+1; (iii) x, y+3/2, z1/2; (iv) x, y+2, z.
 

Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds