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The title compound, C17H15NO3S, is the product of an epoxidation reaction, followed by cyclization and hydro­lysis of the resulting epoxide. There are two independent mol­ecules in the asymmetric unit, both with a slightly twisted heterocyclic ring. N—H...O=C hydrogen bonds link the mol­ecules together into centrosymmetric sets of four.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536802010723/bt6152sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536802010723/bt6152Isup2.hkl
Contains datablock I

CCDC reference: 189903

Key indicators

  • Single-crystal X-ray study
  • T = 160 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.039
  • wR factor = 0.108
  • Data-to-parameter ratio = 11.6

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


Red Alert Alert Level A:
REFLT_03 From the CIF: _diffrn_reflns_theta_max 25.20 From the CIF: _reflns_number_total 4723 TEST2: Reflns within _diffrn_reflns_theta_max Count of symmetry unique reflns 5589 Completeness (_total/calc) 84.51% Alert A: < 85% complete (theta max?)
Amber Alert Alert Level B:
CRYSS_02 Alert B The value of _exptl_crystal_size_min is > 0.6 Minimum crystal size given = 0.700
Author response: Cutting the crystals degraded their quality and that of the resulting diffraction pattern.

Yellow Alert Alert Level C:
ABSTM_02 Alert C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90 Tmin and Tmax reported: 0.814 0.950 Tmin' and Tmax expected: 0.838 0.857 RR' = 0.876 Please check that your absorption correction is appropriate. General Notes
ABSTM_02 When printed, the submitted absorption T values will be replaced by the scaled T values. Since the ratio of scaled T's is identical to the ratio of reported T values, the scaling does not imply a change to the absorption corrections used in the study. Ratio of Tmax expected/reported 0.902 Tmax scaled 0.857 Tmin scaled 0.734
1 Alert Level A = Potentially serious problem
1 Alert Level B = Potential problem
1 Alert Level C = Please check

Computing details top

Data collection: SMART (Siemens, 1995); cell refinement: Siemens SMART; data reduction: SAINT (Siemens, 1995); program(s) used to solve structure: SHELXTL (Sheldrick, 1994); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and local programs.

(4RS,5RS)-4-Phenyl-5-(4-tolylthiocarbonyl)oxazolidin-2-one top
Crystal data top
C17H15NO3SZ = 4
Mr = 313.36F(000) = 656
Triclinic, P1Dx = 1.344 Mg m3
a = 8.931 (3) ÅMo Kα radiation, λ = 0.71073 Å
b = 12.854 (5) ÅCell parameters from 68 reflections
c = 14.884 (4) Åθ = 1.5–23.0°
α = 75.067 (18)°µ = 0.22 mm1
β = 72.757 (14)°T = 160 K
γ = 75.547 (15)°Block, colourless
V = 1548.7 (9) Å30.78 × 0.74 × 0.70 mm
Data collection top
Siemens SMART 1K CCD
diffractometer
4723 independent reflections
Radiation source: sealed tube4468 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.031
Detector resolution: 8.192 pixels mm-1θmax = 25.2°, θmin = 1.5°
ω rotation with narrow frames scansh = 710
Absorption correction: multi-scan
(XPREP in SHELXTL; Sheldrick, 1994)
k = 1512
Tmin = 0.814, Tmax = 0.950l = 1717
6481 measured reflections
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.039H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.108 w = 1/[σ2(Fo2) + (0.0536P)2 + 0.8478P]
where P = (Fo2 + 2Fc2)/3
S = 1.05(Δ/σ)max = 0.003
4723 reflectionsΔρmax = 0.65 e Å3
406 parametersΔρmin = 0.25 e Å3
0 restraintsExtinction correction: SHELXTL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.0111 (15)
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
O10.28985 (17)0.56163 (12)1.05274 (11)0.0451 (4)
C10.3180 (2)0.61817 (15)0.97183 (15)0.0358 (5)
N10.4494 (2)0.60768 (14)0.90180 (12)0.0391 (4)
H10.526 (3)0.559 (2)0.9056 (17)0.047*
C20.4385 (2)0.68283 (15)0.81164 (14)0.0343 (4)
H2A0.42290.64230.76710.041*
C30.2773 (2)0.76061 (16)0.84776 (14)0.0340 (4)
H30.20460.76710.80610.041*
O20.20927 (15)0.70543 (11)0.94370 (10)0.0363 (3)
C50.5864 (2)0.73263 (15)0.76410 (13)0.0320 (4)
C60.6550 (2)0.73596 (16)0.66652 (14)0.0388 (5)
H60.60650.70930.63030.047*
C70.7935 (3)0.77799 (18)0.62183 (17)0.0498 (6)
H70.84030.77930.55540.060*
C80.8630 (3)0.81771 (18)0.67370 (19)0.0551 (6)
H80.95670.84770.64280.066*
C90.7968 (3)0.81419 (18)0.77073 (19)0.0494 (6)
H90.84530.84170.80630.059*
C100.6596 (2)0.77063 (17)0.81646 (15)0.0387 (5)
H100.61590.76680.88340.046*
C40.2943 (2)0.87516 (16)0.84913 (14)0.0326 (4)
O30.32182 (17)0.94177 (11)0.77568 (10)0.0402 (3)
S10.27086 (6)0.89610 (4)0.96645 (4)0.03890 (16)
C110.3068 (2)1.03196 (16)0.94028 (14)0.0362 (4)
C120.1883 (3)1.11083 (19)0.98022 (17)0.0461 (5)
H120.08831.09291.01750.055*
C130.2150 (3)1.21643 (19)0.96610 (18)0.0509 (6)
H130.13311.27010.99440.061*
C140.3597 (3)1.24455 (17)0.91127 (16)0.0461 (5)
C150.4771 (3)1.16452 (18)0.87126 (16)0.0460 (5)
H150.57651.18280.83300.055*
C160.4528 (3)1.05842 (18)0.88582 (15)0.0423 (5)
H160.53531.00430.85870.051*
C170.3897 (4)1.3591 (2)0.8960 (2)0.0643 (7)
H17A0.33261.40860.84970.096*
H17B0.50441.35890.87120.096*
H17C0.35161.38410.95710.096*
O40.1110 (2)0.59694 (13)0.81705 (12)0.0508 (4)
C180.0686 (2)0.55830 (16)0.76494 (15)0.0365 (5)
N20.0374 (2)0.49307 (15)0.78628 (13)0.0412 (4)
H20.095 (3)0.480 (2)0.8403 (18)0.049*
C190.0699 (2)0.47179 (16)0.70356 (13)0.0333 (4)
H190.17400.51840.69400.040*
C200.0694 (2)0.51803 (16)0.62296 (14)0.0352 (4)
H200.02490.57010.57040.042*
O50.13334 (16)0.57698 (11)0.66783 (10)0.0390 (3)
C220.0756 (2)0.35299 (16)0.71130 (13)0.0318 (4)
C230.1580 (2)0.32791 (18)0.65604 (15)0.0403 (5)
H230.21300.38530.61620.048*
C240.1604 (3)0.21945 (19)0.65875 (17)0.0462 (5)
H240.21510.20290.61990.055*
C250.0834 (3)0.13564 (18)0.71794 (17)0.0468 (5)
H250.08570.06150.72020.056*
C260.0026 (3)0.16031 (17)0.77393 (17)0.0460 (5)
H260.04990.10300.81500.055*
C270.0017 (2)0.26823 (17)0.77016 (15)0.0395 (5)
H270.05820.28440.80830.047*
C210.2002 (2)0.42980 (16)0.58084 (13)0.0350 (4)
O60.19195 (17)0.39438 (13)0.51557 (10)0.0459 (4)
S20.35965 (6)0.38545 (4)0.63860 (4)0.03778 (16)
C280.4747 (2)0.27834 (16)0.57799 (14)0.0341 (4)
C290.4622 (2)0.16979 (16)0.62086 (14)0.0373 (5)
H290.38790.15280.68070.045*
C300.5600 (2)0.08700 (16)0.57485 (15)0.0379 (5)
H300.55210.01290.60380.045*
C310.6697 (2)0.11003 (16)0.48700 (14)0.0345 (4)
C320.6784 (2)0.21907 (16)0.44548 (14)0.0354 (4)
H320.75140.23630.38520.043*
C330.5827 (2)0.30298 (16)0.49049 (14)0.0365 (4)
H330.59090.37710.46160.044*
C340.7777 (3)0.01949 (17)0.43826 (16)0.0416 (5)
H34A0.72590.04440.45710.062*
H34B0.87860.00090.45750.062*
H34C0.79870.04490.36850.062*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
O10.0403 (8)0.0366 (8)0.0459 (9)0.0092 (6)0.0029 (6)0.0003 (7)
C10.0341 (10)0.0272 (10)0.0451 (12)0.0106 (8)0.0030 (9)0.0089 (9)
N10.0358 (9)0.0283 (9)0.0423 (10)0.0039 (7)0.0017 (8)0.0036 (7)
C20.0380 (11)0.0318 (10)0.0360 (10)0.0102 (8)0.0066 (8)0.0111 (8)
C30.0322 (10)0.0375 (10)0.0355 (10)0.0103 (8)0.0093 (8)0.0083 (8)
O20.0304 (7)0.0355 (7)0.0416 (8)0.0092 (6)0.0036 (6)0.0083 (6)
C50.0310 (10)0.0271 (9)0.0358 (10)0.0040 (8)0.0066 (8)0.0059 (8)
C60.0412 (11)0.0326 (10)0.0354 (11)0.0007 (9)0.0068 (9)0.0050 (8)
C70.0450 (13)0.0370 (11)0.0470 (13)0.0002 (10)0.0065 (10)0.0010 (10)
C80.0333 (11)0.0377 (12)0.0783 (17)0.0082 (9)0.0038 (11)0.0033 (12)
C90.0371 (12)0.0414 (12)0.0735 (16)0.0099 (9)0.0156 (11)0.0134 (11)
C100.0363 (11)0.0381 (11)0.0428 (11)0.0076 (9)0.0096 (9)0.0098 (9)
C40.0285 (9)0.0334 (10)0.0378 (11)0.0040 (8)0.0109 (8)0.0093 (9)
O30.0486 (8)0.0346 (7)0.0386 (8)0.0057 (6)0.0155 (6)0.0057 (6)
S10.0458 (3)0.0400 (3)0.0349 (3)0.0148 (2)0.0076 (2)0.0107 (2)
C110.0397 (11)0.0389 (11)0.0364 (10)0.0092 (9)0.0147 (9)0.0108 (8)
C120.0378 (11)0.0528 (13)0.0554 (13)0.0063 (10)0.0132 (10)0.0244 (11)
C130.0511 (14)0.0459 (13)0.0669 (15)0.0034 (10)0.0270 (12)0.0279 (11)
C140.0655 (15)0.0383 (12)0.0474 (12)0.0094 (10)0.0331 (11)0.0091 (10)
C150.0546 (13)0.0471 (13)0.0440 (12)0.0209 (11)0.0144 (10)0.0087 (10)
C160.0428 (12)0.0420 (12)0.0451 (12)0.0088 (9)0.0096 (9)0.0145 (9)
C170.101 (2)0.0412 (13)0.0676 (16)0.0178 (13)0.0426 (16)0.0098 (12)
O40.0574 (10)0.0455 (9)0.0612 (10)0.0147 (7)0.0187 (8)0.0212 (8)
C180.0357 (11)0.0308 (10)0.0434 (11)0.0067 (8)0.0074 (9)0.0105 (9)
N20.0484 (11)0.0454 (10)0.0320 (9)0.0228 (8)0.0041 (8)0.0143 (8)
C190.0288 (10)0.0348 (10)0.0360 (10)0.0048 (8)0.0057 (8)0.0103 (8)
C200.0371 (11)0.0331 (10)0.0321 (10)0.0045 (8)0.0067 (8)0.0048 (8)
O50.0393 (8)0.0319 (7)0.0425 (8)0.0126 (6)0.0012 (6)0.0091 (6)
C220.0270 (9)0.0349 (10)0.0342 (10)0.0064 (8)0.0042 (8)0.0114 (8)
C230.0375 (11)0.0448 (12)0.0425 (11)0.0080 (9)0.0146 (9)0.0094 (9)
C240.0446 (12)0.0497 (13)0.0545 (13)0.0141 (10)0.0141 (10)0.0206 (11)
C250.0410 (12)0.0376 (11)0.0628 (14)0.0091 (9)0.0036 (10)0.0208 (10)
C260.0445 (12)0.0349 (11)0.0558 (13)0.0019 (9)0.0152 (10)0.0061 (10)
C270.0371 (11)0.0403 (11)0.0446 (12)0.0054 (9)0.0153 (9)0.0103 (9)
C210.0347 (10)0.0350 (10)0.0299 (10)0.0056 (8)0.0040 (8)0.0026 (8)
O60.0424 (8)0.0592 (10)0.0351 (8)0.0040 (7)0.0111 (6)0.0191 (7)
S20.0343 (3)0.0392 (3)0.0408 (3)0.0027 (2)0.0099 (2)0.0130 (2)
C280.0303 (10)0.0346 (10)0.0392 (11)0.0049 (8)0.0118 (8)0.0076 (8)
C290.0337 (10)0.0388 (11)0.0379 (11)0.0109 (9)0.0066 (8)0.0036 (9)
C300.0376 (11)0.0326 (10)0.0440 (11)0.0102 (8)0.0113 (9)0.0034 (9)
C310.0308 (10)0.0358 (10)0.0403 (11)0.0051 (8)0.0133 (8)0.0094 (8)
C320.0313 (10)0.0366 (11)0.0349 (10)0.0074 (8)0.0051 (8)0.0038 (8)
C330.0340 (10)0.0319 (10)0.0413 (11)0.0068 (8)0.0087 (9)0.0035 (8)
C340.0423 (12)0.0374 (11)0.0465 (12)0.0033 (9)0.0127 (9)0.0130 (9)
Geometric parameters (Å, º) top
O1—C11.226 (2)O4—C181.207 (2)
C1—N11.323 (3)C18—N21.335 (3)
C1—O21.353 (2)C18—O51.370 (2)
N1—H10.80 (3)N2—H20.82 (3)
N1—C21.451 (3)N2—C191.449 (3)
C2—H2A1.000C19—H191.000
C2—C31.569 (3)C19—C201.568 (3)
C2—C51.513 (3)C19—C221.514 (3)
C3—H31.000C20—H201.000
C3—O21.446 (2)C20—O51.431 (2)
C3—C41.523 (3)C20—C211.521 (3)
C5—C61.393 (3)C22—C231.392 (3)
C5—C101.390 (3)C22—C271.386 (3)
C6—H60.950C23—H230.950
C6—C71.388 (3)C23—C241.390 (3)
C7—H70.950C24—H240.950
C7—C81.374 (4)C24—C251.382 (3)
C8—H80.950C25—H250.950
C8—C91.382 (4)C25—C261.386 (3)
C9—H90.950C26—H260.950
C9—C101.389 (3)C26—C271.384 (3)
C10—H100.950C27—H270.950
C4—O31.205 (2)C21—O61.202 (2)
C4—S11.778 (2)C21—S21.777 (2)
S1—C111.778 (2)S2—C281.775 (2)
C11—C121.379 (3)C28—C291.394 (3)
C11—C161.388 (3)C28—C331.386 (3)
C12—H120.950C29—H290.950
C12—C131.388 (3)C29—C301.386 (3)
C13—H130.950C30—H300.950
C13—C141.386 (4)C30—C311.394 (3)
C14—C151.386 (3)C31—C321.390 (3)
C14—C171.509 (3)C31—C341.507 (3)
C15—H150.950C32—H320.950
C15—C161.386 (3)C32—C331.384 (3)
C16—H160.950C33—H330.950
C17—H17A0.980C34—H34A0.980
C17—H17B0.980C34—H34B0.980
C17—H17C0.980C34—H34C0.980
O1—C1—N1128.36 (19)O4—C18—N2129.9 (2)
O1—C1—O2121.18 (18)O4—C18—O5121.13 (18)
N1—C1—O2110.45 (17)N2—C18—O5108.94 (17)
C1—N1—H1123.9 (17)C18—N2—H2121.5 (17)
C1—N1—C2114.33 (18)C18—N2—C19114.44 (17)
H1—N1—C2121.3 (18)H2—N2—C19122.2 (17)
N1—C2—H2A108.8N2—C19—H19109.0
N1—C2—C399.05 (15)N2—C19—C2099.39 (15)
N1—C2—C5112.49 (16)N2—C19—C22113.92 (16)
H2A—C2—C3108.8H19—C19—C20109.0
H2A—C2—C5108.8H19—C19—C22109.0
C3—C2—C5118.24 (16)C20—C19—C22116.00 (15)
C2—C3—H3108.8C19—C20—H20109.2
C2—C3—O2105.35 (15)C19—C20—O5105.26 (15)
C2—C3—C4114.71 (15)C19—C20—C21113.75 (16)
H3—C3—O2108.8H20—C20—O5109.2
H3—C3—C4108.8H20—C20—C21109.2
O2—C3—C4110.16 (15)O5—C20—C21110.00 (16)
C1—O2—C3109.34 (15)C18—O5—C20110.33 (14)
C2—C5—C6119.30 (18)C19—C22—C23118.98 (17)
C2—C5—C10121.47 (17)C19—C22—C27122.04 (17)
C6—C5—C10119.16 (19)C23—C22—C27118.96 (18)
C5—C6—H6119.8C22—C23—H23119.8
C5—C6—C7120.5 (2)C22—C23—C24120.4 (2)
H6—C6—C7119.8H23—C23—C24119.8
C6—C7—H7120.0C23—C24—H24119.9
C6—C7—C8120.0 (2)C23—C24—C25120.1 (2)
H7—C7—C8120.0H24—C24—C25119.9
C7—C8—H8119.9C24—C25—H25120.2
C7—C8—C9120.2 (2)C24—C25—C26119.7 (2)
H8—C8—C9119.9H25—C25—C26120.2
C8—C9—H9119.8C25—C26—H26119.9
C8—C9—C10120.3 (2)C25—C26—C27120.2 (2)
H9—C9—C10119.8H26—C26—C27119.9
C5—C10—C9119.9 (2)C22—C27—C26120.65 (19)
C5—C10—H10120.0C22—C27—H27119.7
C9—C10—H10120.0C26—C27—H27119.7
C3—C4—O3120.83 (17)C20—C21—O6121.75 (18)
C3—C4—S1113.37 (14)C20—C21—S2113.43 (14)
O3—C4—S1125.80 (15)O6—C21—S2124.81 (16)
C4—S1—C11100.98 (9)C21—S2—C2899.96 (9)
S1—C11—C12118.35 (16)S2—C28—C29119.91 (15)
S1—C11—C16121.73 (16)S2—C28—C33119.56 (15)
C12—C11—C16119.8 (2)C29—C28—C33120.45 (18)
C11—C12—H12119.9C28—C29—H29120.5
C11—C12—C13120.2 (2)C28—C29—C30118.95 (18)
H12—C12—C13119.9H29—C29—C30120.5
C12—C13—H13119.6C29—C30—H30119.3
C12—C13—C14120.8 (2)C29—C30—C31121.49 (18)
H13—C13—C14119.6H30—C30—C31119.3
C13—C14—C15118.3 (2)C30—C31—C32118.30 (18)
C13—C14—C17121.1 (2)C30—C31—C34121.19 (18)
C15—C14—C17120.6 (2)C32—C31—C34120.51 (18)
C14—C15—H15119.3C31—C32—H32119.4
C14—C15—C16121.5 (2)C31—C32—C33121.15 (18)
H15—C15—C16119.3H32—C32—C33119.4
C11—C16—C15119.4 (2)C28—C33—C32119.66 (18)
C11—C16—H16120.3C28—C33—H33120.2
C15—C16—H16120.3C32—C33—H33120.2
C14—C17—H17A109.5C31—C34—H34A109.5
C14—C17—H17B109.5C31—C34—H34B109.5
C14—C17—H17C109.5C31—C34—H34C109.5
H17A—C17—H17B109.5H34A—C34—H34B109.5
H17A—C17—H17C109.5H34A—C34—H34C109.5
H17B—C17—H17C109.5H34B—C34—H34C109.5
O1—C1—N1—C2174.83 (19)O4—C18—N2—C19174.0 (2)
O2—C1—N1—C26.1 (2)O5—C18—N2—C197.3 (2)
C1—N1—C2—C311.0 (2)C18—N2—C19—C2012.0 (2)
C1—N1—C2—C5136.75 (18)C18—N2—C19—C22136.04 (18)
N1—C2—C3—O211.54 (17)N2—C19—C20—O511.96 (18)
N1—C2—C3—C4109.77 (17)N2—C19—C20—C21108.52 (18)
C5—C2—C3—O2133.23 (17)C22—C19—C20—O5134.50 (16)
C5—C2—C3—C411.9 (2)C22—C19—C20—C2114.0 (2)
O1—C1—O2—C3176.50 (17)O4—C18—O5—C20177.07 (18)
N1—C1—O2—C32.7 (2)N2—C18—O5—C201.8 (2)
C2—C3—O2—C19.32 (19)C19—C20—O5—C189.0 (2)
C4—C3—O2—C1114.91 (17)C21—C20—O5—C18113.88 (17)
N1—C2—C5—C6133.50 (19)N2—C19—C22—C23157.66 (18)
N1—C2—C5—C1043.5 (2)N2—C19—C22—C2723.8 (3)
C3—C2—C5—C6111.9 (2)C20—C19—C22—C2387.8 (2)
C3—C2—C5—C1071.0 (2)C20—C19—C22—C2790.7 (2)
C2—C5—C6—C7177.92 (18)C19—C22—C23—C24177.56 (19)
C10—C5—C6—C70.8 (3)C27—C22—C23—C241.0 (3)
C5—C6—C7—C80.7 (3)C22—C23—C24—C251.3 (3)
C6—C7—C8—C91.1 (3)C23—C24—C25—C260.5 (3)
C7—C8—C9—C100.1 (3)C24—C25—C26—C270.4 (3)
C8—C9—C10—C51.5 (3)C25—C26—C27—C220.6 (3)
C2—C5—C10—C9178.92 (18)C19—C22—C27—C26178.46 (19)
C6—C5—C10—C91.9 (3)C23—C22—C27—C260.1 (3)
C2—C3—C4—O374.5 (2)C19—C20—C21—O686.5 (2)
C2—C3—C4—S1105.10 (16)C19—C20—C21—S292.65 (18)
O2—C3—C4—O3166.88 (17)O5—C20—C21—O6155.69 (18)
O2—C3—C4—S113.55 (19)O5—C20—C21—S225.13 (19)
C3—C4—S1—C11177.37 (13)C20—C21—S2—C28175.37 (14)
O3—C4—S1—C112.2 (2)O6—C21—S2—C283.8 (2)
C4—S1—C11—C12121.24 (17)C21—S2—C28—C2998.96 (17)
C4—S1—C11—C1662.48 (18)C21—S2—C28—C3384.43 (17)
S1—C11—C12—C13176.29 (17)S2—C28—C29—C30176.23 (15)
C16—C11—C12—C130.1 (3)C33—C28—C29—C300.4 (3)
C11—C12—C13—C140.6 (3)C28—C29—C30—C310.1 (3)
C12—C13—C14—C150.2 (3)C29—C30—C31—C320.5 (3)
C12—C13—C14—C17179.7 (2)C29—C30—C31—C34178.91 (18)
C13—C14—C15—C160.6 (3)C30—C31—C32—C330.9 (3)
C17—C14—C15—C16178.9 (2)C34—C31—C32—C33178.48 (18)
C14—C15—C16—C111.1 (3)C31—C32—C33—C280.7 (3)
S1—C11—C16—C15176.98 (16)S2—C28—C33—C32176.66 (15)
C12—C11—C16—C150.8 (3)C29—C28—C33—C320.1 (3)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1···O1i0.80 (3)2.08 (3)2.874 (3)167 (2)
N2—H2···O1ii0.82 (3)2.06 (3)2.835 (2)159 (2)
Symmetry codes: (i) x+1, y+1, z+2; (ii) x, y+1, z+2.
 

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